2-(benzenesulfonyl)-N-cyclohexylacetamide

C14H19NO3S — CID 1264349

IUPAC2-(benzenesulfonyl)-N-cyclohexylacetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C14H19NO3S/c16-14(15-12-7-3-1-4-8-12)11-19(17,18)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)
InChIKeyDFRIEOSUVLCNBP-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.91
Rot. Bonds4

About 2-(benzenesulfonyl)-N-cyclohexylacetamide

2-(benzenesulfonyl)-N-cyclohexylacetamide (PubChem CID 1264349) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-cyclohexylacetamide
PubChem CID1264349
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-(benzenesulfonyl)-N-cyclohexylacetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C14H19NO3S/c16-14(15-12-7-3-1-4-8-12)11-19(17,18)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)
InChIKeyDFRIEOSUVLCNBP-UHFFFAOYSA-N
XLogP1.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-cyclohexylacetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-cyclohexylacetamide (CID 1264349) is 2-(benzenesulfonyl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-cyclohexylacetamide is O=C(CS(=O)(=O)c1ccccc1)NC1CCCCC1.
What is the InChIKey of 2-(benzenesulfonyl)-N-cyclohexylacetamide?
The InChIKey is DFRIEOSUVLCNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-14(15-12-7-3-1-4-8-12)11-19(17,18)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16).
What are the key properties of 2-(benzenesulfonyl)-N-cyclohexylacetamide?
2-(benzenesulfonyl)-N-cyclohexylacetamide has a molecular weight of 281.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-cyclohexylacetamide is sourced from PubChem (CID 1264349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).