Details of the Drug

General Information of Drug (ID: DM6PQ5V)

Drug Name

4-amino-N-(2-chlorophenyl)benzenesulfonamide

Synonyms

19837-85-5; 4-amino-N-(2-chlorophenyl)benzenesulfonamide; 4-amino-N-(2-chlorophenyl)benzene-1-sulfonamide; 4-Amino-N-(2-chloro-phenyl)-benzenesulfonamide; Benzenesulfonamide, 4-amino-N-(2-chlorophenyl)-; AC1MP5DG; AC1Q51WZ; SCHEMBL1970942; n1-2-chlorophenylsulphanilamide; CHEMBL227597; CTK4E2501; DTXSID20392191; XZQHDUUDKCHQIL-UHFFFAOYSA-N; MolPort-002-463-078; ZINC3885452; STL420385; BBL034801; AKOS000115492; NE25153; MCULE-7275329899; KB-289984; FT-0719132; N-(2-Chlorophenyl)-4-aminobenzenesulfonamide; EN300-02335

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)

282.75

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C12H11ClN2O2S
IUPAC Name: 4-amino-N-(2-chlorophenyl)benzenesulfonamide
Canonical SMILES: C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)Cl
InChI: InChI=1S/C12H11ClN2O2S/c13-11-3-1-2-4-12(11)15-18(16,17)10-7-5-9(14)6-8-10/h1-8,15H,14H2
InChIKey: XZQHDUUDKCHQIL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3405810
CAS Number: 19837-85-5
TTD ID: D0Y7ND

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 1 (COX-1)	TT8NGED	PGH1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Prostaglandin G/H synthase 1 (COX-1)	DTT	PTGS1	3.97E-03	0.16	0.43

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Analgesic agents without gastric damage: design and synthesis of structurally simple benzenesulfonanilide-type cyclooxygenase-1-selective inhibitors. Bioorg Med Chem. 2007 Jan 15;15(2):1014-21.