N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide

C10H11ClN4O2S — CID 79531198

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide
SMILESNc1[nH]ncc1CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H11ClN4O2S/c11-8-3-1-2-4-9(8)18(16,17)14-6-7-5-13-15-10(7)12/h1-5,14H,6H2,(H3,12,13,15)
InChIKeyFQYDFLCTPRYUNM-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.12
Rot. Bonds4

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide (PubChem CID 79531198) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide
PubChem CID79531198
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide
SMILESNc1[nH]ncc1CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H11ClN4O2S/c11-8-3-1-2-4-9(8)18(16,17)14-6-7-5-13-15-10(7)12/h1-5,14H,6H2,(H3,12,13,15)
InChIKeyFQYDFLCTPRYUNM-UHFFFAOYSA-N
XLogP1.12
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide 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

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 79531474
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79531355
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 79530004
N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 79530915
N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide
CID 79530165
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 79529534
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
CID 79529225
2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79530172
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-methylsulfonylethanesulfonamide
CID 79530161
N-[(3-aminophenyl)methyl]-2-chlorobenzenesulfonamide
CID 43593530
5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 62537243
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 79529527

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide (CID 79531198) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide is Nc1[nH]ncc1CNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide?
The InChIKey is FQYDFLCTPRYUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c11-8-3-1-2-4-9(8)18(16,17)14-6-7-5-13-15-10(7)12/h1-5,14H,6H2,(H3,12,13,15).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide has a molecular weight of 286.74 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 79531198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).