N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C14H12F3NO2S — CID 107326533

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

About N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107326533) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107326533
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC NameN-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H12F3NO2S/c1-8-3-10(15)4-9(2)14(8)21(19,20)18-13-6-11(16)5-12(17)7-13/h3-7,18H,1-2H3
InChIKeyNLVVMADRPNBNRB-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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107326533) is N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is NLVVMADRPNBNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-8-3-10(15)4-9(2)14(8)21(19,20)18-13-6-11(16)5-12(17)7-13/h3-7,18H,1-2H3.
What are the key properties of N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(3,5-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-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107326533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).