N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H12ClN3O2S — CID 66257339

IUPACN-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H12ClN3O2S/c1-7-4-3-5-9(12)11(7)15-18(16,17)10-6-13-14-8(10)2/h3-6,15H,1-2H3,(H,13,14)
InChIKeyKQHMTADUCALABM-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.48
Rot. Bonds3

About N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 66257339) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID66257339
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC NameN-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C11H12ClN3O2S/c1-7-4-3-5-9(12)11(7)15-18(16,17)10-6-13-14-8(10)2/h3-6,15H,1-2H3,(H,13,14)
InChIKeyKQHMTADUCALABM-UHFFFAOYSA-N
XLogP2.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 62086051
5-amino-N-(2,6-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 65468674
N-(2-chloro-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 66254277
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 65453182
N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 83167318
N-(2-chloro-6-methylphenyl)-4-hydrazinylpyridine-3-sulfonamide
CID 66255535
N-(5-chloro-1,3-benzothiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248974
N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929809
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyridine-3-sulfonamide
CID 66256091
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 154848350

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 66257339) is N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1cccc(Cl)c1NS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is KQHMTADUCALABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-7-4-3-5-9(12)11(7)15-18(16,17)10-6-13-14-8(10)2/h3-6,15H,1-2H3,(H,13,14).
What are the key properties of N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 285.76 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 66257339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).