3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide

C13H7Cl3F3NO2S — CID 5005138

IUPAC3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7Cl3F3NO2S/c14-7-1-2-12(11(6-7)13(17,18)19)20-23(21,22)10-4-8(15)3-9(16)5-10/h1-6,20H
InChIKeySPQCAFHSTYKMOP-UHFFFAOYSA-N
MW404.62 g/mol
LogP5.47
Rot. Bonds3

About 3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide

3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 5005138) has the molecular formula C13H7Cl3F3NO2S and a molecular weight of 404.62 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID5005138
Molecular FormulaC13H7Cl3F3NO2S
Molecular Weight404.62 g/mol
Exact Mass402.92
IUPAC Name3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H7Cl3F3NO2S/c14-7-1-2-12(11(6-7)13(17,18)19)20-23(21,22)10-4-8(15)3-9(16)5-10/h1-6,20H
InChIKeySPQCAFHSTYKMOP-UHFFFAOYSA-N
XLogP5.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.62
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22201407
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201415
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079
3-chloro-N-[4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
CID 18892877
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911752
3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3809875
4-chloro-N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 2506765
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648292
N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 162366531

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 5005138) is 3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is SPQCAFHSTYKMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3NO2S/c14-7-1-2-12(11(6-7)13(17,18)19)20-23(21,22)10-4-8(15)3-9(16)5-10/h1-6,20H.
What are the key properties of 3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide?
3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 404.62 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 5005138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).