4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide

C22H20N2O3S — CID 10715538

IUPAC4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide
SMILESCOc1ccc(/C=C/C(=N\c2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-27-20-12-7-17(8-13-20)9-16-22(18-5-3-2-4-6-18)24-19-10-14-21(15-11-19)28(23,25)26/h2-16H,1H3,(H2,23,25,26)/b16-9+,24-22+
InChIKeyCWBNDBYJPMEVSX-SMDJZAQHSA-N
MW392.48 g/mol
LogP4.18
Rot. Bonds6

About 4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide

4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide (PubChem CID 10715538) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide
PubChem CID10715538
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide
SMILESCOc1ccc(/C=C/C(=N\c2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-27-20-12-7-17(8-13-20)9-16-22(18-5-3-2-4-6-18)24-19-10-14-21(15-11-19)28(23,25)26/h2-16H,1H3,(H2,23,25,26)/b16-9+,24-22+
InChIKeyCWBNDBYJPMEVSX-SMDJZAQHSA-N
XLogP4.18
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide
CID 40541247
(2E,4E)-N-(4-methoxyphenyl)-1,5-diphenylpenta-2,4-dien-1-imine
CID 134851984
N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline
CID 45146558
N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide
CID 139934221
N'-(4-sulfamoylphenyl)benzenecarboximidamide
CID 55159197
5-[(Z)-[(E)-1-(4-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enylidene]amino]-1,3,4-thiadiazole-2-sulfonamide
CID 10837054
[(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 19289952
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
CID 69129935
CID 69129935
(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
CID 135399881
(E)-N'-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-enimidamide
CID 59789851
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide?
The IUPAC name of 4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide (CID 10715538) is 4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide is COc1ccc(/C=C/C(=N\c2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide?
The InChIKey is CWBNDBYJPMEVSX-SMDJZAQHSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-27-20-12-7-17(8-13-20)9-16-22(18-5-3-2-4-6-18)24-19-10-14-21(15-11-19)28(23,25)26/h2-16H,1H3,(H2,23,25,26)/b16-9+,24-22+.
What are the key properties of 4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide?
4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide is sourced from PubChem (CID 10715538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).