(1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine

C18H19NO2S — CID 6367762

IUPAC(1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine
SMILESCN(C)/C=C(\C=C\c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19NO2S/c1-19(2)15-18(14-13-16-9-5-3-6-10-16)22(20,21)17-11-7-4-8-12-17/h3-15H,1-2H3/b14-13+,18-15+
InChIKeyYWXQCGCSSZBVKU-UUVOMYAKSA-N
MW313.42 g/mol
LogP3.58
Rot. Bonds5

About (1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine

(1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine (PubChem CID 6367762) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is (1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine
PubChem CID6367762
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name(1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine
SMILESCN(C)/C=C(\C=C\c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19NO2S/c1-19(2)15-18(14-13-16-9-5-3-6-10-16)22(20,21)17-11-7-4-8-12-17/h3-15H,1-2H3/b14-13+,18-15+
InChIKeyYWXQCGCSSZBVKU-UUVOMYAKSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one
CID 44725715
(E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine
CID 6393769
[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene
CID 143136700
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
(Z)-2-(benzenesulfonyl)-1-(2-chlorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 1483456
stilbene;sulfuric acid
CID 67612140
[5-(benzenesulfonyl)-3-methylpenta-1,3-dienyl]benzene
CID 73004123
[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylbenzene
CID 138738643
[4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate
CID 7921384
N,N-dimethylmethanamine;stilbene
CID 174368184
(E)-N,N-dimethyl-3-phenylprop-2-eneselenoamide
CID 11096649
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine (CID 6367762) is (1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine is CN(C)/C=C(\C=C\c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine?
The InChIKey is YWXQCGCSSZBVKU-UUVOMYAKSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-19(2)15-18(14-13-16-9-5-3-6-10-16)22(20,21)17-11-7-4-8-12-17/h3-15H,1-2H3/b14-13+,18-15+.
What are the key properties of (1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine?
(1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine has a molecular weight of 313.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine is sourced from PubChem (CID 6367762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).