N-phenacylcyclohexanesulfonamide

C14H19NO3S — CID 64993938

IUPACN-phenacylcyclohexanesulfonamide
SMILESO=C(CNS(=O)(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19NO3S/c16-14(12-7-3-1-4-8-12)11-15-19(17,18)13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2
InChIKeyOJTIFIFNVYAPJE-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.12
Rot. Bonds5

About N-phenacylcyclohexanesulfonamide

N-phenacylcyclohexanesulfonamide (PubChem CID 64993938) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-phenacylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-phenacylcyclohexanesulfonamide
PubChem CID64993938
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-phenacylcyclohexanesulfonamide
SMILESO=C(CNS(=O)(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19NO3S/c16-14(12-7-3-1-4-8-12)11-15-19(17,18)13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2
InChIKeyOJTIFIFNVYAPJE-UHFFFAOYSA-N
XLogP2.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenacylcyclohexanesulfonamide?
The IUPAC name of N-phenacylcyclohexanesulfonamide (CID 64993938) is N-phenacylcyclohexanesulfonamide.
What is the SMILES notation for N-phenacylcyclohexanesulfonamide?
The canonical SMILES for N-phenacylcyclohexanesulfonamide is O=C(CNS(=O)(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-phenacylcyclohexanesulfonamide?
The InChIKey is OJTIFIFNVYAPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-14(12-7-3-1-4-8-12)11-15-19(17,18)13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2.
What are the key properties of N-phenacylcyclohexanesulfonamide?
N-phenacylcyclohexanesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenacylcyclohexanesulfonamide is sourced from PubChem (CID 64993938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).