N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide

C14H13F2NO2S — CID 4793269

IUPACN-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1C
InChIInChI=1S/C14H13F2NO2S/c1-9-6-7-11(8-10(9)2)17-20(18,19)14-12(15)4-3-5-13(14)16/h3-8,17H,1-2H3
InChIKeyXUVIMDQVLQVHMT-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.38
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide

N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide (PubChem CID 4793269) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
PubChem CID4793269
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC NameN-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1C
InChIInChI=1S/C14H13F2NO2S/c1-9-6-7-11(8-10(9)2)17-20(18,19)14-12(15)4-3-5-13(14)16/h3-8,17H,1-2H3
InChIKeyXUVIMDQVLQVHMT-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 3844257
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide
CID 4878108
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385
4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79557755
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
CID 33490699
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327721
4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79569216

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide (CID 4793269) is N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide?
The InChIKey is XUVIMDQVLQVHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-9-6-7-11(8-10(9)2)17-20(18,19)14-12(15)4-3-5-13(14)16/h3-8,17H,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide?
N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide has a molecular weight of 297.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 4793269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).