4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride

C13H14ClN3O3S — CID 43098424

IUPAC4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1NC(=O)c1cnn(C)c1C
InChIInChI=1S/C13H14ClN3O3S/c1-8-6-10(21(14,19)20)4-5-12(8)16-13(18)11-7-15-17(3)9(11)2/h4-7H,1-3H3,(H,16,18)
InChIKeyXWWBKPUSZZTJCX-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.22
Rot. Bonds3

About 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride

4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride (PubChem CID 43098424) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride
PubChem CID43098424
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1NC(=O)c1cnn(C)c1C
InChIInChI=1S/C13H14ClN3O3S/c1-8-6-10(21(14,19)20)4-5-12(8)16-13(18)11-7-15-17(3)9(11)2/h4-7H,1-3H3,(H,16,18)
InChIKeyXWWBKPUSZZTJCX-UHFFFAOYSA-N
XLogP2.22
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43095846
N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
N-(2-fluoro-4-sulfamoylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43134041
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782
3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
CID 43095073
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216209
3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62920806
4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 104785746
N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474180
N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 82706059
N-[2-(chloromethyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114298281

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride?
The IUPAC name of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride (CID 43098424) is 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)ccc1NC(=O)c1cnn(C)c1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride?
The InChIKey is XWWBKPUSZZTJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-8-6-10(21(14,19)20)4-5-12(8)16-13(18)11-7-15-17(3)9(11)2/h4-7H,1-3H3,(H,16,18).
What are the key properties of 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride?
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride has a molecular weight of 327.79 g/mol, XLogP of 2.22, 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]-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 43098424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).