4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C13H16ClN3O2S — CID 39623413

IUPAC4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C13H16ClN3O2S/c1-10-6-12(14)4-5-13(10)20(18,19)17(3)9-11-7-15-16(2)8-11/h4-8H,9H2,1-3H3
InChIKeyCNLCDCGAMMRGEQ-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.20
Rot. Bonds4

About 4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 39623413) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID39623413
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C13H16ClN3O2S/c1-10-6-12(14)4-5-13(10)20(18,19)17(3)9-11-7-15-16(2)8-11/h4-8H,9H2,1-3H3
InChIKeyCNLCDCGAMMRGEQ-UHFFFAOYSA-N
XLogP2.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]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

2-amino-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61125404
2-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794973
4-chloro-2-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495378
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitrobenzenesulfonamide
CID 39794990
4-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47813014
4-bromo-3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103697227
4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 64519782
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 39623415
5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771399
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 17371538
2-[(S)-(2,5-dichlorophenyl)sulfinyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 95629757

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 39623413) is 4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of 4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is CNLCDCGAMMRGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-10-6-12(14)4-5-13(10)20(18,19)17(3)9-11-7-15-16(2)8-11/h4-8H,9H2,1-3H3.
What are the key properties of 4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 39623413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).