Details of the Drug

General Information of Drug (ID: DMZY8UW)

Drug Name

4-Nitro-benzenesulfonamide

Synonyms

4-NITROBENZENESULFONAMIDE; 6325-93-5; Benzenesulfonamide, 4-nitro-; p-Nitrobenzenesulfonamide; 4-Nitrobenzolesulfamide; p-Nitrophenylsulfonamide; 4-Nitrobenzenesulphonamide; Benzenesulfonamide, p-nitro-; 4-Nitro-benzenesulfonamide; UNII-TUF52O8Y8B; EINECS 228-691-6; NSC 31148; BRN 2214218; TUF52O8Y8B; CHEMBL282157; 4-Nitrobenzenesulfonamide, 97%; QWKKYJLAUWFPDB-UHFFFAOYSA-N; NsNH2; 4-nitrophenylsulfonamid; 3m8t; 4-Nitrobenzolsulfonamide; p-nitrophenyl sulfonamide; WLN: ZSWR DNW; p-nitrobenzene sulphonamide; AC1Q55AA; Cambridge id 5

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

202.19

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C6H6N2O4S
IUPAC Name: 4-nitrobenzenesulfonamide
Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N
InChI: InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
InChIKey: QWKKYJLAUWFPDB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 22784
CAS Number: 6325-93-5
TTD ID: D06LVE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives. Bioorg Med Chem Lett. 2004 Nov 15;14(22):5703-7.