N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide

C12H14ClN3O2S — CID 22775093

IUPACN-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cnn(C)c1C
InChIInChI=1S/C12H14ClN3O2S/c1-8-4-5-10(13)6-11(8)15-19(17,18)12-7-14-16(3)9(12)2/h4-7,15H,1-3H3
InChIKeyKRGYUQUTVJFUIP-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.49
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide

N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 22775093) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID22775093
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC NameN-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cnn(C)c1C
InChIInChI=1S/C12H14ClN3O2S/c1-8-4-5-10(13)6-11(8)15-19(17,18)12-7-14-16(3)9(12)2/h4-7,15H,1-3H3
InChIKeyKRGYUQUTVJFUIP-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide 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

2,5-dichloro-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide
CID 4769211
N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22203197
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19680642
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 3461470
1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684902
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide
CID 22209133

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 22775093) is N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1cnn(C)c1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is KRGYUQUTVJFUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-8-4-5-10(13)6-11(8)15-19(17,18)12-7-14-16(3)9(12)2/h4-7,15H,1-3H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22775093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).