N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide

C26H23F4NO4S — CID 10208251

IUPACN-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc(OC2CCCCC2)c(C(F)(F)F)c1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H23F4NO4S/c27-20-12-10-18(11-13-20)17-6-8-19(9-7-17)25(32)31-36(33,34)22-14-15-24(23(16-22)26(28,29)30)35-21-4-2-1-3-5-21/h6-16,21H,1-5H2,(H,31,32)
InChIKeyYNVPALJTQOUXLM-UHFFFAOYSA-N
MW521.53 g/mol
LogP6.34
Rot. Bonds6

About N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide

N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide (PubChem CID 10208251) has the molecular formula C26H23F4NO4S and a molecular weight of 521.53 g/mol. Its IUPAC name is N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide
PubChem CID10208251
Molecular FormulaC26H23F4NO4S
Molecular Weight521.53 g/mol
Exact Mass521.13
IUPAC NameN-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc(OC2CCCCC2)c(C(F)(F)F)c1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H23F4NO4S/c27-20-12-10-18(11-13-20)17-6-8-19(9-7-17)25(32)31-36(33,34)22-14-15-24(23(16-22)26(28,29)30)35-21-4-2-1-3-5-21/h6-16,21H,1-5H2,(H,31,32)
InChIKeyYNVPALJTQOUXLM-UHFFFAOYSA-N
XLogP6.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.53
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-cyclohexylpropylamino)-3-nitrophenyl]sulfonyl-4-(4-fluorophenyl)benzamide
CID 22730610
4-(4-fluorophenyl)-N-[4-(3-hydroxypropoxy)-3-nitrophenyl]sulfonylbenzamide
CID 22730001
methyl 2-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]acetate
CID 158209098
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
3-tert-butyl-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247085
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
4-cyclopentyloxy-3-(3,4-difluorophenyl)benzoic acid
CID 134391746
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
CID 55831849
1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82925757
1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
CID 110166636
cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate
CID 63839194

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide?
The IUPAC name of N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide (CID 10208251) is N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide?
The canonical SMILES for N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide is O=C(NS(=O)(=O)c1ccc(OC2CCCCC2)c(C(F)(F)F)c1)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide?
The InChIKey is YNVPALJTQOUXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4NO4S/c27-20-12-10-18(11-13-20)17-6-8-19(9-7-17)25(32)31-36(33,34)22-14-15-24(23(16-22)26(28,29)30)35-21-4-2-1-3-5-21/h6-16,21H,1-5H2,(H,31,32).
What are the key properties of N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide?
N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide has a molecular weight of 521.53 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclohexyloxy-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)benzamide is sourced from PubChem (CID 10208251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).