N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide

C14H13F2NO2S — CID 22773464

IUPACN-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C14H13F2NO2S/c1-9-3-5-12(7-10(9)2)20(18,19)17-11-4-6-13(15)14(16)8-11/h3-8,17H,1-2H3
InChIKeyFYKWDGCPQMYAGS-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.38
Rot. Bonds3

About N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide

N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 22773464) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID22773464
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC NameN-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C14H13F2NO2S/c1-9-3-5-12(7-10(9)2)20(18,19)17-11-4-6-13(15)14(16)8-11/h3-8,17H,1-2H3
InChIKeyFYKWDGCPQMYAGS-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-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4876032
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113051684
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide (CID 22773464) is N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1C.
What is the InChIKey of N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is FYKWDGCPQMYAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-9-3-5-12(7-10(9)2)20(18,19)17-11-4-6-13(15)14(16)8-11/h3-8,17H,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide?
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide 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-difluorophenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 22773464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).