4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide

C19H23NO2S — CID 102233869

IUPAC4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide
SMILESCCCC(/C=C/c1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO2S/c1-3-7-18(13-12-17-8-5-4-6-9-17)20-23(21,22)19-14-10-16(2)11-15-19/h4-6,8-15,18,20H,3,7H2,1-2H3/b13-12+
InChIKeyBLYIGPHLOFKOHH-OUKQBFOZSA-N
MW329.47 g/mol
LogP4.16
Rot. Bonds7

About 4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide

4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide (PubChem CID 102233869) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide
PubChem CID102233869
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide
SMILESCCCC(/C=C/c1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO2S/c1-3-7-18(13-12-17-8-5-4-6-9-17)20-23(21,22)19-14-10-16(2)11-15-19/h4-6,8-15,18,20H,3,7H2,1-2H3/b13-12+
InChIKeyBLYIGPHLOFKOHH-OUKQBFOZSA-N
XLogP4.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E,3S)-3-[(4-methylphenyl)sulfonylamino]-5-phenylpent-4-enoic acid
CID 101455223
N-[(E,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylpent-1-en-3-yl]-4-methylbenzenesulfonamide
CID 101455227
4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide
CID 11152440
4-nitro-N-[(E,3R)-1-phenylpent-1-en-3-yl]benzenesulfonamide
CID 139051166
N-(1-oxopentan-2-yl)benzenesulfonamide
CID 174520678
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
N-[(E,3S,5S)-5-[[(S)-tert-butylsulfinyl]amino]-1,5,6-triphenylhex-1-en-3-yl]-4-methylbenzenesulfonamide
CID 11664388
N-(1-diphenylphosphorylbutyl)-4-methylbenzenesulfonamide
CID 21427381
N-[(1S,2S)-2-formyl-1-phenylpentyl]-4-methylbenzenesulfonamide
CID 102510095
4-methyl-N-(1-oxobutan-2-yl)benzenesulfonamide
CID 173407704
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide (CID 102233869) is 4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide is CCCC(/C=C/c1ccccc1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide?
The InChIKey is BLYIGPHLOFKOHH-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-3-7-18(13-12-17-8-5-4-6-9-17)20-23(21,22)19-14-10-16(2)11-15-19/h4-6,8-15,18,20H,3,7H2,1-2H3/b13-12+.
What are the key properties of 4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide?
4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide has a molecular weight of 329.47 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide is sourced from PubChem (CID 102233869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).