N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide

C25H24N2O4S — CID 139934221

IUPACN-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide
SMILESCOc1ccc(/C=C/C(/C=C/c2ccc(OC)cc2)=NNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4S/c1-30-23-16-10-20(11-17-23)8-14-22(15-9-21-12-18-24(31-2)19-13-21)26-27-32(28,29)25-6-4-3-5-7-25/h3-19,27H,1-2H3/b14-8+,15-9+
InChIKeyJSWQULXHXSESNZ-VOMDNODZSA-N
MW448.54 g/mol
LogP4.76
Rot. Bonds9

About N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide

N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide (PubChem CID 139934221) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide
PubChem CID139934221
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide
SMILESCOc1ccc(/C=C/C(/C=C/c2ccc(OC)cc2)=NNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O4S/c1-30-23-16-10-20(11-17-23)8-14-22(15-9-21-12-18-24(31-2)19-13-21)26-27-32(28,29)25-6-4-3-5-7-25/h3-19,27H,1-2H3/b14-8+,15-9+
InChIKeyJSWQULXHXSESNZ-VOMDNODZSA-N
XLogP4.76
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
CID 69129935
CID 69129935
(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19211692
1-[3-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene
CID 74601306
4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 10715538
N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
CID 6381588
(2Z)-2-[(4-methoxyphenyl)sulfonylhydrazinylidene]acetic acid
CID 5373444
methyl 3-[4-(benzenesulfonamido)phenyl]prop-2-enoate
CID 67019618
N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
CID 6371801
(E)-3-(4-methoxyphenyl)prop-2-enoyl chloride;toluene
CID 118117364
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide
CID 135589157
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701

Frequently Asked Questions

What is the IUPAC name of N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide?
The IUPAC name of N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide (CID 139934221) is N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide.
What is the SMILES notation for N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide?
The canonical SMILES for N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide is COc1ccc(/C=C/C(/C=C/c2ccc(OC)cc2)=NNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide?
The InChIKey is JSWQULXHXSESNZ-VOMDNODZSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-30-23-16-10-20(11-17-23)8-14-22(15-9-21-12-18-24(31-2)19-13-21)26-27-32(28,29)25-6-4-3-5-7-25/h3-19,27H,1-2H3/b14-8+,15-9+.
What are the key properties of N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide?
N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide has a molecular weight of 448.54 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 139934221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).