3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide

C11H12ClN3O2S — CID 43547574

IUPAC3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3O2S/c1-7-11(8(2)14-13-7)15-18(16,17)10-5-3-4-9(12)6-10/h3-6,15H,1-2H3,(H,13,14)
InChIKeyGSPDSFLUNDDYEO-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.48
Rot. Bonds3

About 3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide

3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 43547574) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID43547574
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3O2S/c1-7-11(8(2)14-13-7)15-18(16,17)10-5-3-4-9(12)6-10/h3-6,15H,1-2H3,(H,13,14)
InChIKeyGSPDSFLUNDDYEO-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

4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 43547505
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 25046851
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 82844313
3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686573
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxybenzenesulfonamide
CID 81241328
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
CID 43547071
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43547799
3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734194
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide
CID 18617374

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide (CID 43547574) is 3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is GSPDSFLUNDDYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-7-11(8(2)14-13-7)15-18(16,17)10-5-3-4-9(12)6-10/h3-6,15H,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide?
3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide 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 3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43547574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).