4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride

C12H12ClN3O3S — CID 43095846

IUPAC4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)cnn1C
InChIInChI=1S/C12H12ClN3O3S/c1-8-11(7-14-16(8)2)12(17)15-9-3-5-10(6-4-9)20(13,18)19/h3-7H,1-2H3,(H,15,17)
InChIKeyFMUZZIAWTYZOIE-UHFFFAOYSA-N
MW313.77 g/mol
LogP1.91
Rot. Bonds3

About 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride

4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 43095846) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
PubChem CID43095846
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)cnn1C
InChIInChI=1S/C12H12ClN3O3S/c1-8-11(7-14-16(8)2)12(17)15-9-3-5-10(6-4-9)20(13,18)19/h3-7H,1-2H3,(H,15,17)
InChIKeyFMUZZIAWTYZOIE-UHFFFAOYSA-N
XLogP1.91
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride 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-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 43098424
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
CID 13467302
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839
N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide
CID 75538051
N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776770
N-(2-fluoro-4-sulfamoylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43134041
N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 86925257
N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61241001

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride (CID 43095846) is 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride is Cc1c(C(=O)Nc2ccc(S(=O)(=O)Cl)cc2)cnn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is FMUZZIAWTYZOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-8-11(7-14-16(8)2)12(17)15-9-3-5-10(6-4-9)20(13,18)19/h3-7H,1-2H3,(H,15,17).
What are the key properties of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride?
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride has a molecular weight of 313.77 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 43095846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).