Details of the Drug

General Information of Drug (ID: DMICQWN)

Drug Name

1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID

Synonyms

1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID; (2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID; UN3; AC1NS1QY; SULFAMIC ACID Analog 13; BDBM13529; DB04800; (2-methyl-5-phenylpyrazol-3-yl)sulfamic acid; N-(2-methyl-5-phenylpyrazol-3-yl)sulfamic acid; (1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfamic acid; N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)sulfamic acid

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)

253.28

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C10H11N3O3S
IUPAC Name: (2-methyl-5-phenylpyrazol-3-yl)sulfamic acid
Canonical SMILES: CN1C(=CC(=N1)C2=CC=CC=C2)NS(=O)(=O)O
InChI: InChI=1S/C10H11N3O3S/c1-13-10(12-17(14,15)16)7-9(11-13)8-5-3-2-4-6-8/h2-7,12H,1H3,(H,14,15,16)
InChIKey: OTZLVSGSRPNRFT-UHFFFAOYSA-N