N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C14H12F3NO2S — CID 107326617

IUPACN-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H12F3NO2S/c1-8-5-11(16)6-9(2)14(8)21(19,20)18-13-7-10(15)3-4-12(13)17/h3-7,18H,1-2H3
InChIKeyHBPJPOSQWSOUEP-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.52
Rot. Bonds3

About N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107326617) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107326617
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC NameN-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H12F3NO2S/c1-8-5-11(16)6-9(2)14(8)21(19,20)18-13-7-10(15)3-4-12(13)17/h3-7,18H,1-2H3
InChIKeyHBPJPOSQWSOUEP-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107528083
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 60984738
N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327344
N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326661
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51699026
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
CID 43256407
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327223

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107326617) is N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is HBPJPOSQWSOUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-8-5-11(16)6-9(2)14(8)21(19,20)18-13-7-10(15)3-4-12(13)17/h3-7,18H,1-2H3.
What are the key properties of N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107326617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).