3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide

C10H12N4O2S — CID 43662319

IUPAC3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NCc2ccn[nH]2)c1
InChIInChI=1S/C10H12N4O2S/c11-17(15,16)10-3-1-2-8(6-10)12-7-9-4-5-13-14-9/h1-6,12H,7H2,(H,13,14)(H2,11,15,16)
InChIKeyOADMTKGLPPRSOQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.67
Rot. Bonds4

About 3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide

3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide (PubChem CID 43662319) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
PubChem CID43662319
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NCc2ccn[nH]2)c1
InChIInChI=1S/C10H12N4O2S/c11-17(15,16)10-3-1-2-8(6-10)12-7-9-4-5-13-14-9/h1-6,12H,7H2,(H,13,14)(H2,11,15,16)
InChIKeyOADMTKGLPPRSOQ-UHFFFAOYSA-N
XLogP0.67
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 61285265
3-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662434
N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 43662428
N-(1H-pyrazol-5-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692029
3-[(4-methylsulfonylphenyl)methylamino]benzenesulfonamide
CID 167770306
3-[(2,3,4-trihydroxyphenyl)methylamino]benzenesulfonamide
CID 107730329
3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide
CID 28541147
3-[(2-bromo-5-fluorophenyl)methylamino]benzenesulfonamide
CID 103579679
N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 43680780
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(3-sulfamoylphenyl)urea
CID 55909410
4-[(3-sulfamoylanilino)methyl]benzamide
CID 43761254
N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 43717561

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide?
The IUPAC name of 3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide (CID 43662319) is 3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide is NS(=O)(=O)c1cccc(NCc2ccn[nH]2)c1.
What is the InChIKey of 3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide?
The InChIKey is OADMTKGLPPRSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c11-17(15,16)10-3-1-2-8(6-10)12-7-9-4-5-13-14-9/h1-6,12H,7H2,(H,13,14)(H2,11,15,16).
What are the key properties of 3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide?
3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 43662319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).