N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide

C14H13F2NO2S — CID 26952276

IUPACN-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1C
InChIInChI=1S/C14H13F2NO2S/c1-9-4-3-5-14(10(9)2)17-20(18,19)13-7-11(15)6-12(16)8-13/h3-8,17H,1-2H3
InChIKeyPQIITBYHAHLFMV-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.38
Rot. Bonds3

About N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide

N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide (PubChem CID 26952276) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
PubChem CID26952276
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC NameN-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1C
InChIInChI=1S/C14H13F2NO2S/c1-9-4-3-5-14(10(9)2)17-20(18,19)13-7-11(15)6-12(16)8-13/h3-8,17H,1-2H3
InChIKeyPQIITBYHAHLFMV-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

2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide
CID 988110
N-(2,3-dichlorophenyl)-3,5-difluorobenzenesulfonamide
CID 92510677
N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 46800107
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-fluoro-2-methylphenyl)benzamide
CID 7908370
N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide
CID 22773660
4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 43099417
2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 62057436
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 26979452
N-(2,3-dimethylphenyl)-3,4-diethoxybenzenesulfonamide
CID 9055836
N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide
CID 86061932
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide (CID 26952276) is N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide?
The InChIKey is PQIITBYHAHLFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-9-4-3-5-14(10(9)2)17-20(18,19)13-7-11(15)6-12(16)8-13/h3-8,17H,1-2H3.
What are the key properties of N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide?
N-(2,3-dimethylphenyl)-3,5-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-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 26952276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).