2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C21H22ClF3N2O3S — CID 25249574

IUPAC2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C21H22ClF3N2O3S/c22-18-12-11-15(21(23,24)25)13-19(18)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)
InChIKeyKDSQJICJXWQVTR-UHFFFAOYSA-N
MW474.93 g/mol
LogP5.32
Rot. Bonds6

About 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 25249574) has the molecular formula C21H22ClF3N2O3S and a molecular weight of 474.93 g/mol. Its IUPAC name is 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID25249574
Molecular FormulaC21H22ClF3N2O3S
Molecular Weight474.93 g/mol
Exact Mass474.10
IUPAC Name2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C21H22ClF3N2O3S/c22-18-12-11-15(21(23,24)25)13-19(18)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)
InChIKeyKDSQJICJXWQVTR-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

2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1331347
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126012783
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2194413
2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1331504
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126011263
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 43871742
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide
CID 1002059
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide
CID 96522124
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]amino]acetamide
CID 124866260
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2-chlorophenyl)acetamide
CID 2241044

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 25249574) is 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KDSQJICJXWQVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N2O3S/c22-18-12-11-15(21(23,24)25)13-19(18)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-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-[benzenesulfonyl(cyclohexyl)amino]-N-[2-chloro-5-(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-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25249574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).