N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide

C13H10ClF2NO2S — CID 3844257

IUPACN-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1Cl
InChIInChI=1S/C13H10ClF2NO2S/c1-8-5-6-9(7-10(8)14)17-20(18,19)13-11(15)3-2-4-12(13)16/h2-7,17H,1H3
InChIKeyYJAIDVURWAZKBS-UHFFFAOYSA-N
MW317.74 g/mol
LogP3.73
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide

N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide (PubChem CID 3844257) has the molecular formula C13H10ClF2NO2S and a molecular weight of 317.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
PubChem CID3844257
Molecular FormulaC13H10ClF2NO2S
Molecular Weight317.74 g/mol
Exact Mass317.01
IUPAC NameN-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1Cl
InChIInChI=1S/C13H10ClF2NO2S/c1-8-5-6-9(7-10(8)14)17-20(18,19)13-11(15)3-2-4-12(13)16/h2-7,17H,1H3
InChIKeyYJAIDVURWAZKBS-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-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
CID 4793269
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 60985629
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide
CID 4878108
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385
2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62810748
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
2-amino-N-(4-chloro-3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171347
N-(3-chloro-4-fluorophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 60532770
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide (CID 3844257) is N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide?
The InChIKey is YJAIDVURWAZKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO2S/c1-8-5-6-9(7-10(8)14)17-20(18,19)13-11(15)3-2-4-12(13)16/h2-7,17H,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide?
N-(3-chloro-4-methylphenyl)-2,6-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)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 3844257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).