N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide

C13H10ClF2NO2S — CID 9234950

IUPACN-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Cl
InChIInChI=1S/C13H10ClF2NO2S/c1-8-2-4-10(7-11(8)14)17-20(18,19)13-6-9(15)3-5-12(13)16/h2-7,17H,1H3
InChIKeySQHMVIMSHBACDQ-UHFFFAOYSA-N
MW317.74 g/mol
LogP3.73
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide

N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide (PubChem CID 9234950) has the molecular formula C13H10ClF2NO2S and a molecular weight of 317.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
PubChem CID9234950
Molecular FormulaC13H10ClF2NO2S
Molecular Weight317.74 g/mol
Exact Mass317.01
IUPAC NameN-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Cl
InChIInChI=1S/C13H10ClF2NO2S/c1-8-2-4-10(7-11(8)14)17-20(18,19)13-6-9(15)3-5-12(13)16/h2-7,17H,1H3
InChIKeySQHMVIMSHBACDQ-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43604420
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 3844257
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 106039463
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 60985629
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 46392575
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide (CID 9234950) is N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is SQHMVIMSHBACDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO2S/c1-8-2-4-10(7-11(8)14)17-20(18,19)13-6-9(15)3-5-12(13)16/h2-7,17H,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide?
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide has a molecular weight of 317.74 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 9234950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).