4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide

C19H12ClF4NO2S — CID 16753763

IUPAC4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2-c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C19H12ClF4NO2S/c20-17-8-3-12(9-18(17)21)16-10-13(19(22,23)24)4-7-15(16)11-1-5-14(6-2-11)28(25,26)27/h1-10H,(H2,25,26,27)
InChIKeyJAPJIEVESADENP-UHFFFAOYSA-N
MW429.82 g/mol
LogP5.48
Rot. Bonds3

About 4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide

4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 16753763) has the molecular formula C19H12ClF4NO2S and a molecular weight of 429.82 g/mol. Its IUPAC name is 4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID16753763
Molecular FormulaC19H12ClF4NO2S
Molecular Weight429.82 g/mol
Exact Mass429.02
IUPAC Name4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2-c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C19H12ClF4NO2S/c20-17-8-3-12(9-18(17)21)16-10-13(19(22,23)24)4-7-15(16)11-1-5-14(6-2-11)28(25,26)27/h1-10H,(H2,25,26,27)
InChIKeyJAPJIEVESADENP-UHFFFAOYSA-N
XLogP5.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.82
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dichloro-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)phenyl]benzene
CID 16754543
4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10810604
1-fluoro-2-methyl-4-[2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)phenyl]benzene
CID 16754440
4-[5-(4-chloro-3-fluorophenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370417
2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)benzonitrile
CID 172989647
4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 18930755
4-[4,5-difluoro-2-[4-methyl-3,5-bis(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23451284
4-[6-(4-chloro-3-fluorophenyl)spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 18934050
2,6-difluoro-4-[3-sulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 91456943
2-fluoro-4-[3-sulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 91027770
4-(4-amino-2-chlorophenyl)benzenesulfonamide
CID 110453859
1-[4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)phenyl]phenyl]ethanone
CID 16753959

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 16753763) is 4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2-c2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is JAPJIEVESADENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4NO2S/c20-17-8-3-12(9-18(17)21)16-10-13(19(22,23)24)4-7-15(16)11-1-5-14(6-2-11)28(25,26)27/h1-10H,(H2,25,26,27).
What are the key properties of 4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 429.82 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16753763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).