3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide

C15H19NO3S — CID 76873750

IUPAC3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide
SMILESO=C(C=CS(=O)(=O)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H19NO3S/c17-15(16-13-7-3-1-4-8-13)11-12-20(18,19)14-9-5-2-6-10-14/h2,5-6,9-13H,1,3-4,7-8H2,(H,16,17)
InChIKeyRHNKRLQJWRCZFJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.42
Rot. Bonds4

About 3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide

3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide (PubChem CID 76873750) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide
PubChem CID76873750
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide
SMILESO=C(C=CS(=O)(=O)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H19NO3S/c17-15(16-13-7-3-1-4-8-13)11-12-20(18,19)14-9-5-2-6-10-14/h2,5-6,9-13H,1,3-4,7-8H2,(H,16,17)
InChIKeyRHNKRLQJWRCZFJ-UHFFFAOYSA-N
XLogP2.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(benzenesulfonyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 114550405
(E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 106364399
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
(E)-3-(benzenesulfonyl)prop-2-enoic acid;pentahydrate
CID 19831534
3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627
3-(benzenesulfonyl)prop-2-enamide;dihydrochloride
CID 129105097

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide?
The IUPAC name of 3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide (CID 76873750) is 3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide is O=C(C=CS(=O)(=O)c1ccccc1)NC1CCCCC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide?
The InChIKey is RHNKRLQJWRCZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c17-15(16-13-7-3-1-4-8-13)11-12-20(18,19)14-9-5-2-6-10-14/h2,5-6,9-13H,1,3-4,7-8H2,(H,16,17).
What are the key properties of 3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide?
3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide has a molecular weight of 293.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-cyclohexylprop-2-enamide is sourced from PubChem (CID 76873750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).