4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide

C22H22F6N2O3S — CID 53238736

IUPAC4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)C(F)(F)F)C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H22F6N2O3S/c23-21(24,25)16-8-12-18(13-9-16)34(32,33)30-17-10-6-15(7-11-17)20(31)29-19(22(26,27)28)14-4-2-1-3-5-14/h1-5,8-9,12-13,15,17,19,30H,6-7,10-11H2,(H,29,31)/t15?,17?,19-/m0/s1
InChIKeyZPZMHJVBMXZODJ-KVWWFHCMSA-N
MW508.48 g/mol
LogP4.96
Rot. Bonds6

About 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide

4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide (PubChem CID 53238736) has the molecular formula C22H22F6N2O3S and a molecular weight of 508.48 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide
PubChem CID53238736
Molecular FormulaC22H22F6N2O3S
Molecular Weight508.48 g/mol
Exact Mass508.13
IUPAC Name4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)C(F)(F)F)C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H22F6N2O3S/c23-21(24,25)16-8-12-18(13-9-16)34(32,33)30-17-10-6-15(7-11-17)20(31)29-19(22(26,27)28)14-4-2-1-3-5-14/h1-5,8-9,12-13,15,17,19,30H,6-7,10-11H2,(H,29,31)/t15?,17?,19-/m0/s1
InChIKeyZPZMHJVBMXZODJ-KVWWFHCMSA-N
XLogP4.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.48
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

(3R)-3-phenyl-3-[[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarbonyl]amino]propanoic acid
CID 58291800
[(2S)-2-phenyl-2-[[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarbonyl]amino]ethyl] (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 67224961
4-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide
CID 90216808
[(2S)-2-phenyl-2-[[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarbonyl]amino]ethyl] (2S)-2-(chloroamino)-3-hydroxypropanoate
CID 88935341
(2R)-2-amino-5-oxo-5-[(2R)-2-phenyl-2-[[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarbonyl]amino]ethoxy]pentanoic acid
CID 67224700
4-[(1S)-1,3-diphenyl-1-[[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarbonyl]amino]propan-2-yl]oxy-4-oxobutanoic acid
CID 67223993
N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-1-methyl-4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
CID 58292169
(2S,4S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-phenyl-2-propan-2-yl-4-[[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarbonyl]amino]butanoic acid;hydrochloride
CID 67225156
methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291888
[(2S)-2-phenyl-2-[[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexanecarbonyl]amino]ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 67224958
N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-4-[[4-(2-methoxy-4-pyridinyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
CID 58292247
N-(1-cyclohexa-2,4-dien-1-yl-3-hydroxy-2,2-dimethylpropyl)-4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxamide
CID 123992804

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide (CID 53238736) is 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide is O=C(N[C@@H](c1ccccc1)C(F)(F)F)C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide?
The InChIKey is ZPZMHJVBMXZODJ-KVWWFHCMSA-N. The full InChI is InChI=1S/C22H22F6N2O3S/c23-21(24,25)16-8-12-18(13-9-16)34(32,33)30-17-10-6-15(7-11-17)20(31)29-19(22(26,27)28)14-4-2-1-3-5-14/h1-5,8-9,12-13,15,17,19,30H,6-7,10-11H2,(H,29,31)/t15?,17?,19-/m0/s1.
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide?
4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide has a molecular weight of 508.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 53238736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).