(NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide

C16H15NO3S — CID 11543970

IUPAC(NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H15NO3S/c1-20-15-9-11-16(12-10-15)21(18,19)17-13-5-8-14-6-3-2-4-7-14/h2-13H,1H3/b8-5+,17-13+
InChIKeyNXSSFQNSQMDACW-WUSSVBECSA-N
MW301.37 g/mol
LogP3.17
Rot. Bonds5

About (NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide

(NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide (PubChem CID 11543970) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is (NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide
PubChem CID11543970
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name(NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H15NO3S/c1-20-15-9-11-16(12-10-15)21(18,19)17-13-5-8-14-6-3-2-4-7-14/h2-13H,1H3/b8-5+,17-13+
InChIKeyNXSSFQNSQMDACW-WUSSVBECSA-N
XLogP3.17
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-Methoxybenzylidene)-4-methylbenzenesulfonamide
CID 5706325
N'-[(E)-(2-methoxyphenyl)methylidene]benzenesulfonohydrazide
CID 5335248
N'-(4-Methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 5331359
4-[(4-Methoxyphenyl)tellanylmethyl]benzenesulfonamide
CID 155523492
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
(E)-1-(4-methoxyphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193005
(E)-1-(4-methoxyphenylsulfonyl)-5-phenyl-2,3,4,7-tetrahydro-1H-azepine
CID 25193144
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
N'-(4-Methoxybenzylidene)benzenesulfonohydrazide
CID 6908543
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803
4-[2-[(4-Methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 118736318

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide (CID 11543970) is (NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide is COc1ccc(S(=O)(=O)/N=C/C=C/c2ccccc2)cc1.
What is the InChIKey of (NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide?
The InChIKey is NXSSFQNSQMDACW-WUSSVBECSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-20-15-9-11-16(12-10-15)21(18,19)17-13-5-8-14-6-3-2-4-7-14/h2-13H,1H3/b8-5+,17-13+.
What are the key properties of (NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide?
(NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide is sourced from PubChem (CID 11543970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).