N-(1-methylcyclohexyl)-2-phenylethenesulfonamide

C15H21NO2S — CID 70606649

IUPACN-(1-methylcyclohexyl)-2-phenylethenesulfonamide
SMILESCC1(NS(=O)(=O)C=Cc2ccccc2)CCCCC1
InChIInChI=1S/C15H21NO2S/c1-15(11-6-3-7-12-15)16-19(17,18)13-10-14-8-4-2-5-9-14/h2,4-5,8-10,13,16H,3,6-7,11-12H2,1H3
InChIKeyVLDYIBZGOXBVTM-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.30
Rot. Bonds4

About N-(1-methylcyclohexyl)-2-phenylethenesulfonamide

N-(1-methylcyclohexyl)-2-phenylethenesulfonamide (PubChem CID 70606649) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(1-methylcyclohexyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclohexyl)-2-phenylethenesulfonamide
PubChem CID70606649
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-(1-methylcyclohexyl)-2-phenylethenesulfonamide
SMILESCC1(NS(=O)(=O)C=Cc2ccccc2)CCCCC1
InChIInChI=1S/C15H21NO2S/c1-15(11-6-3-7-12-15)16-19(17,18)13-10-14-8-4-2-5-9-14/h2,4-5,8-10,13,16H,3,6-7,11-12H2,1H3
InChIKeyVLDYIBZGOXBVTM-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide
CID 114696836
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
1-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexan-1-amine
CID 55060313
4-[[(E)-2-phenylethenyl]sulfonylamino]oxane-4-carboxylic acid
CID 115291912
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid
CID 129371860
methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
CID 139258056
(E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide
CID 86263782
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclohexyl)-2-phenylethenesulfonamide?
The IUPAC name of N-(1-methylcyclohexyl)-2-phenylethenesulfonamide (CID 70606649) is N-(1-methylcyclohexyl)-2-phenylethenesulfonamide.
What is the SMILES notation for N-(1-methylcyclohexyl)-2-phenylethenesulfonamide?
The canonical SMILES for N-(1-methylcyclohexyl)-2-phenylethenesulfonamide is CC1(NS(=O)(=O)C=Cc2ccccc2)CCCCC1.
What is the InChIKey of N-(1-methylcyclohexyl)-2-phenylethenesulfonamide?
The InChIKey is VLDYIBZGOXBVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-15(11-6-3-7-12-15)16-19(17,18)13-10-14-8-4-2-5-9-14/h2,4-5,8-10,13,16H,3,6-7,11-12H2,1H3.
What are the key properties of N-(1-methylcyclohexyl)-2-phenylethenesulfonamide?
N-(1-methylcyclohexyl)-2-phenylethenesulfonamide has a molecular weight of 279.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohexyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 70606649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).