N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide

C16H21NO2S — CID 11130078

IUPACN-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC=C=C2CCCCC2)cc1
InChIInChI=1S/C16H21NO2S/c1-14-9-11-16(12-10-14)20(18,19)17-13-5-8-15-6-3-2-4-7-15/h5,9-12,17H,2-4,6-7,13H2,1H3
InChIKeyDORNSIUNYYGCAZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.32
Rot. Bonds4

About N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide

N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide (PubChem CID 11130078) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide
PubChem CID11130078
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC=C=C2CCCCC2)cc1
InChIInChI=1S/C16H21NO2S/c1-14-9-11-16(12-10-14)20(18,19)17-13-5-8-15-6-3-2-4-7-15/h5,9-12,17H,2-4,6-7,13H2,1H3
InChIKeyDORNSIUNYYGCAZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide
CID 102402030
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide
CID 11277092
N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
CID 160936209
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 13215821
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide
CID 122390713
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 10519274
N-[(E)-4-iodo-3-methylbut-2-enyl]-4-methylbenzenesulfonamide
CID 125499199
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide (CID 11130078) is N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC=C=C2CCCCC2)cc1.
What is the InChIKey of N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide?
The InChIKey is DORNSIUNYYGCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-14-9-11-16(12-10-14)20(18,19)17-13-5-8-15-6-3-2-4-7-15/h5,9-12,17H,2-4,6-7,13H2,1H3.
What are the key properties of N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide?
N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide has a molecular weight of 291.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 11130078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).