N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide

C18H25NO2S — CID 134864996

IUPACN-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide
SMILESC=C/C=C/C(NS(=O)(=O)c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C18H25NO2S/c1-3-4-10-18(16-8-6-5-7-9-16)19-22(20,21)17-13-11-15(2)12-14-17/h3-4,10-14,16,18-19H,1,5-9H2,2H3/b10-4+
InChIKeyWNBSFCKUNKALTN-ONNFQVAWSA-N
MW319.47 g/mol
LogP3.96
Rot. Bonds6

About N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide

N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide (PubChem CID 134864996) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide
PubChem CID134864996
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC NameN-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide
SMILESC=C/C=C/C(NS(=O)(=O)c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C18H25NO2S/c1-3-4-10-18(16-8-6-5-7-9-16)19-22(20,21)17-13-11-15(2)12-14-17/h3-4,10-14,16,18-19H,1,5-9H2,2H3/b10-4+
InChIKeyWNBSFCKUNKALTN-ONNFQVAWSA-N
XLogP3.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
CID 11393771
CID 10928938
CID 10928938
N-[(1S,2Z)-1-(4-methylphenyl)penta-2,4-dienyl]-4-nitrobenzenesulfonamide
CID 102085441
N-[2-bicyclo[2.2.1]heptanyl(cyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 171485845
ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 15533211
tert-butyl 2-[(S)-cyclohexyl-[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
CID 102169340
N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide
CID 134941304
N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
CID 67266397
N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]-2,4,6-trimethylbenzenesulfonamide
CID 102155523
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide (CID 134864996) is N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide is C=C/C=C/C(NS(=O)(=O)c1ccc(C)cc1)C1CCCCC1.
What is the InChIKey of N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide?
The InChIKey is WNBSFCKUNKALTN-ONNFQVAWSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-3-4-10-18(16-8-6-5-7-9-16)19-22(20,21)17-13-11-15(2)12-14-17/h3-4,10-14,16,18-19H,1,5-9H2,2H3/b10-4+.
What are the key properties of N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide?
N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide has a molecular weight of 319.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-1-cyclohexylpenta-2,4-dienyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134864996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).