4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide

C9H9ClN4O2S — CID 61393032

IUPAC4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C9H9ClN4O2S/c10-7-5-6(11)1-2-8(7)17(15,16)14-9-3-4-12-13-9/h1-5H,11H2,(H2,12,13,14)
InChIKeyCNVJMLLWXPFKAY-UHFFFAOYSA-N
MW272.72 g/mol
LogP1.45
Rot. Bonds3

About 4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide

4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 61393032) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID61393032
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC Name4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C9H9ClN4O2S/c10-7-5-6(11)1-2-8(7)17(15,16)14-9-3-4-12-13-9/h1-5H,11H2,(H2,12,13,14)
InChIKeyCNVJMLLWXPFKAY-UHFFFAOYSA-N
XLogP1.45
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-chloro-N-(1H-pyrazol-5-yl)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-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393048
3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 103077395
3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394082
5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 80646555
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394406
4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 55131833
4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911735
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea
CID 116646022
4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29294416

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 61393032) is 4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccn[nH]2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is CNVJMLLWXPFKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c10-7-5-6(11)1-2-8(7)17(15,16)14-9-3-4-12-13-9/h1-5H,11H2,(H2,12,13,14).
What are the key properties of 4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 272.72 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 61393032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).