Benzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro-

C13H8ClF4NO2S — CID 100809

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-4-fluorobenzenesulfonamide
SMILESC1=CC(=CC=C1F)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F
InChIInChI=1S/C13H8ClF4NO2S/c14-8-1-6-12(11(7-8)13(16,17)18)19-22(20,21)10-4-2-9(15)3-5-10/h1-7,19H
InChIKeyPJDHKQVFXSGRMO-UHFFFAOYSA-N
MW353.72 g/mol
LogP4.10
Rot. Bonds3

About Benzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro-

Benzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro- (PubChem CID 100809) has the molecular formula C13H8ClF4NO2S and a molecular weight of 353.72 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameBenzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro-
PubChem CID100809
Molecular FormulaC13H8ClF4NO2S
Molecular Weight353.72 g/mol
Exact Mass352.99
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-fluorobenzenesulfonamide
SMILESC1=CC(=CC=C1F)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F
InChIInChI=1S/C13H8ClF4NO2S/c14-8-1-6-12(11(7-8)13(16,17)18)19-22(20,21)10-4-2-9(15)3-5-10/h1-7,19H
InChIKeyPJDHKQVFXSGRMO-UHFFFAOYSA-N
XLogP4.10
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity471

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.72
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Benzenesulfonamide, N-(4-chlorophenyl)-4-methyl-
CID 76182
4-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 668798
4-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 295192
N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 246655
N-(2-Chlorophenyl)-4-methylbenzenesulfonamide
CID 80791
4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 4788452
Benzenesulfonamide, N-(4-chloro-3-(trifluoromethyl)phenyl)-4-fluoro-
CID 73141
Benzenesulfonamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-4-fluoro-
CID 100808
4-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 722856
3-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 889300
N-(4-Chlorophenyl)-4-fluorobenzenesulfonamide
CID 341407
2-[[(E)-1-(4-Chlorophenyl)prop-1-en-2-yl]sulfonylamino]-4-fluoro-benzenesulfonamide
CID 42645536

Frequently Asked Questions

What is the IUPAC name of Benzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro-?
The IUPAC name of Benzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro- (CID 100809) is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for Benzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro-?
The canonical SMILES for Benzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro- is C1=CC(=CC=C1F)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F.
What is the InChIKey of Benzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro-?
The InChIKey is PJDHKQVFXSGRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4NO2S/c14-8-1-6-12(11(7-8)13(16,17)18)19-22(20,21)10-4-2-9(15)3-5-10/h1-7,19H.
What are the key properties of Benzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro-?
Benzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro- has a molecular weight of 353.72 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Benzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro- is sourced from PubChem (CID 100809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).