4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C14H8ClF6NO2S — CID 78787079

IUPAC4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H8ClF6NO2S/c15-8-5-6-12(10(7-8)14(19,20)21)25(23,24)22-11-4-2-1-3-9(11)13(16,17)18/h1-7,22H
InChIKeyYYASABYDMUFLSB-UHFFFAOYSA-N
MW403.73 g/mol
LogP5.18
Rot. Bonds3

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

4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 78787079) has the molecular formula C14H8ClF6NO2S and a molecular weight of 403.73 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID78787079
Molecular FormulaC14H8ClF6NO2S
Molecular Weight403.73 g/mol
Exact Mass402.99
IUPAC Name4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H8ClF6NO2S/c15-8-5-6-12(10(7-8)14(19,20)21)25(23,24)22-11-4-2-1-3-9(11)13(16,17)18/h1-7,22H
InChIKeyYYASABYDMUFLSB-UHFFFAOYSA-N
XLogP5.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.73
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 18289032
4-chloro-N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 2506765
3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3809875
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-chloro-2-(trifluoromethyl)benzenesulfonamide
CID 2474429
3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5005138
2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2497166
4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 25335042
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26970163
methyl 3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 17480007

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 78787079) is 4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is YYASABYDMUFLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF6NO2S/c15-8-5-6-12(10(7-8)14(19,20)21)25(23,24)22-11-4-2-1-3-9(11)13(16,17)18/h1-7,22H.
What are the key properties of 4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 403.73 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 78787079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).