4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C10H12N4O2S — CID 61126765

IUPAC4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C10H12N4O2S/c11-9-1-3-10(4-2-9)17(15,16)14-7-8-5-12-13-6-8/h1-6,14H,7,11H2,(H,12,13)
InChIKeyXQJXXIBNQFOGDB-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.47
Rot. Bonds4

About 4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 61126765) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID61126765
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1
InChIInChI=1S/C10H12N4O2S/c11-9-1-3-10(4-2-9)17(15,16)14-7-8-5-12-13-6-8/h1-6,14H,7,11H2,(H,12,13)
InChIKeyXQJXXIBNQFOGDB-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895455
4-(1-aminoethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54982271
4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 55042991
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895795
2-[4-(1H-pyrazol-4-ylmethylsulfamoyl)phenoxy]acetic acid
CID 60999310
2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide
CID 61003075
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 114137503
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
2-amino-3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 103171290
3-(aminomethyl)-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106015927
4-chloro-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61004535

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 61126765) is 4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1.
What is the InChIKey of 4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is XQJXXIBNQFOGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c11-9-1-3-10(4-2-9)17(15,16)14-7-8-5-12-13-6-8/h1-6,14H,7,11H2,(H,12,13).
What are the key properties of 4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61126765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).