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

C14H14ClF6NO2S — CID 24651399

IUPAC4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H14ClF6NO2S/c15-9-3-6-12(11(7-9)14(19,20)21)25(23,24)22-10-4-1-8(2-5-10)13(16,17)18/h3,6-8,10,22H,1-2,4-5H2
InChIKeyYAJJSUJDBITNIJ-UHFFFAOYSA-N
MW409.78 g/mol
LogP4.76
Rot. Bonds3

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

4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 24651399) has the molecular formula C14H14ClF6NO2S and a molecular weight of 409.78 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID24651399
Molecular FormulaC14H14ClF6NO2S
Molecular Weight409.78 g/mol
Exact Mass409.03
IUPAC Name4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H14ClF6NO2S/c15-9-3-6-12(11(7-9)14(19,20)21)25(23,24)22-10-4-1-8(2-5-10)13(16,17)18/h3,6-8,10,22H,1-2,4-5H2
InChIKeyYAJJSUJDBITNIJ-UHFFFAOYSA-N
XLogP4.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.78
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-pyrrolidin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 62380630
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927
3-N-cyclopropyl-1-N-[4-(trifluoromethyl)cyclohexyl]benzene-1,3-disulfonamide
CID 78842483
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
4-chloro-N-[(2R)-1-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 103918517
4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079
4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide
CID 5188456
4-chloro-N-[[(3R)-oxolan-3-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 94061203
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
2-amino-4-chloro-N-cyclobutylbenzenesulfonamide
CID 62415700
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 24651399) is 4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is YAJJSUJDBITNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF6NO2S/c15-9-3-6-12(11(7-9)14(19,20)21)25(23,24)22-10-4-1-8(2-5-10)13(16,17)18/h3,6-8,10,22H,1-2,4-5H2.
What are the key properties of 4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
4-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 409.78 g/mol, XLogP of 4.76, 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-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 24651399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).