1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride

C10H12ClN3O2S — CID 154810466

IUPAC1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)Nc1cn[nH]c1
InChIInChI=1S/C10H11N3O2S.ClH/c14-16(15,13-10-6-11-12-7-10)8-9-4-2-1-3-5-9;/h1-7,13H,8H2,(H,11,12);1H
InChIKeyGAAKGHWHGQGQKT-UHFFFAOYSA-N
MW273.75 g/mol
LogP1.77
Rot. Bonds4

About 1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride

1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride (PubChem CID 154810466) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride
PubChem CID154810466
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)Nc1cn[nH]c1
InChIInChI=1S/C10H11N3O2S.ClH/c14-16(15,13-10-6-11-12-7-10)8-9-4-2-1-3-5-9;/h1-7,13H,8H2,(H,11,12);1H
InChIKeyGAAKGHWHGQGQKT-UHFFFAOYSA-N
XLogP1.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride (CID 154810466) is 1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride is Cl.O=S(=O)(Cc1ccccc1)Nc1cn[nH]c1.
What is the InChIKey of 1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride?
The InChIKey is GAAKGHWHGQGQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S.ClH/c14-16(15,13-10-6-11-12-7-10)8-9-4-2-1-3-5-9;/h1-7,13H,8H2,(H,11,12);1H.
What are the key properties of 1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride?
1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride has a molecular weight of 273.75 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1H-pyrazol-4-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 154810466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).