2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide

C22H25F3N2O3S — CID 15945371

IUPAC2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C22H25F3N2O3S/c23-22(24,25)18-10-7-13-20(14-18)31(29,30)27(15-17-8-3-1-4-9-17)16-21(28)26-19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-16H2,(H,26,28)
InChIKeyGHHDXBLHUJRSTK-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.35
Rot. Bonds7

About 2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide

2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide (PubChem CID 15945371) has the molecular formula C22H25F3N2O3S and a molecular weight of 454.51 g/mol. Its IUPAC name is 2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide
PubChem CID15945371
Molecular FormulaC22H25F3N2O3S
Molecular Weight454.51 g/mol
Exact Mass454.15
IUPAC Name2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C22H25F3N2O3S/c23-22(24,25)18-10-7-13-20(14-18)31(29,30)27(15-17-8-3-1-4-9-17)16-21(28)26-19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-16H2,(H,26,28)
InChIKeyGHHDXBLHUJRSTK-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide (CID 15945371) is 2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCCC1.
What is the InChIKey of 2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide?
The InChIKey is GHHDXBLHUJRSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3S/c23-22(24,25)18-10-7-13-20(14-18)31(29,30)27(15-17-8-3-1-4-9-17)16-21(28)26-19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-16H2,(H,26,28).
What are the key properties of 2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide?
2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide has a molecular weight of 454.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 15945371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).