2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C21H22ClF3N2O3S — CID 1331347

IUPAC2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H22ClF3N2O3S/c22-19-12-11-15(13-18(19)21(23,24)25)26-20(28)14-27(16-7-3-1-4-8-16)31(29,30)17-9-5-2-6-10-17/h2,5-6,9-13,16H,1,3-4,7-8,14H2,(H,26,28)
InChIKeySQEQVHSESKZAFL-UHFFFAOYSA-N
MW474.93 g/mol
LogP5.32
Rot. Bonds6

About 2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1331347) has the molecular formula C21H22ClF3N2O3S and a molecular weight of 474.93 g/mol. Its IUPAC name is 2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID1331347
Molecular FormulaC21H22ClF3N2O3S
Molecular Weight474.93 g/mol
Exact Mass474.10
IUPAC Name2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H22ClF3N2O3S/c22-19-12-11-15(13-18(19)21(23,24)25)26-20(28)14-27(16-7-3-1-4-8-16)31(29,30)17-9-5-2-6-10-17/h2,5-6,9-13,16H,1,3-4,7-8,14H2,(H,26,28)
InChIKeySQEQVHSESKZAFL-UHFFFAOYSA-N
XLogP5.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.93
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 126009501
2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 25249574
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 51343377
N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 987644
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126064719
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1339520
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1337093
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1002076
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-chlorophenyl)acetamide
CID 126010478
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 1331347) is 2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SQEQVHSESKZAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N2O3S/c22-19-12-11-15(13-18(19)21(23,24)25)26-20(28)14-27(16-7-3-1-4-8-16)31(29,30)17-9-5-2-6-10-17/h2,5-6,9-13,16H,1,3-4,7-8,14H2,(H,26,28).
What are the key properties of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 474.93 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1331347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).