N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide

C15H13F4NO2S — CID 17376520

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)cc1C
InChIInChI=1S/C15H13F4NO2S/c1-9-3-5-12(7-10(9)2)23(21,22)20-14-8-11(15(17,18)19)4-6-13(14)16/h3-8,20H,1-2H3
InChIKeyWXQJTJQGEDEYBD-UHFFFAOYSA-N
MW347.33 g/mol
LogP4.26
Rot. Bonds3

About N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide

N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 17376520) has the molecular formula C15H13F4NO2S and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
PubChem CID17376520
Molecular FormulaC15H13F4NO2S
Molecular Weight347.33 g/mol
Exact Mass347.06
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)cc1C
InChIInChI=1S/C15H13F4NO2S/c1-9-3-5-12(7-10(9)2)23(21,22)20-14-8-11(15(17,18)19)4-6-13(14)16/h3-8,20H,1-2H3
InChIKeyWXQJTJQGEDEYBD-UHFFFAOYSA-N
XLogP4.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773507
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22773502
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 22773510
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 5162311
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 60824396
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide (CID 17376520) is N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)cc1C.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is WXQJTJQGEDEYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO2S/c1-9-3-5-12(7-10(9)2)23(21,22)20-14-8-11(15(17,18)19)4-6-13(14)16/h3-8,20H,1-2H3.
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide?
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 347.33 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 17376520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).