4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide

C16H15ClN2O2S — CID 51061578

IUPAC4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
SMILESCC(=C/c1ccccc1)/C=N/NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-13(11-14-5-3-2-4-6-14)12-18-19-22(20,21)16-9-7-15(17)8-10-16/h2-12,19H,1H3/b13-11-,18-12+
InChIKeyLQCHKKSCHWQNOB-APKIYPECSA-N
MW334.83 g/mol
LogP3.71
Rot. Bonds5

About 4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide

4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide (PubChem CID 51061578) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
PubChem CID51061578
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
SMILESCC(=C/c1ccccc1)/C=N/NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2S/c1-13(11-14-5-3-2-4-6-14)12-18-19-22(20,21)16-9-7-15(17)8-10-16/h2-12,19H,1H3/b13-11-,18-12+
InChIKeyLQCHKKSCHWQNOB-APKIYPECSA-N
XLogP3.71
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-ethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 17338009
2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 6908700
2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51061440
4-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 5431289
(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid
CID 11176374
2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6245542
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
4-chloro-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 110516223
2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3752825
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
N-[(E)-benzylideneamino]-4-(2-oxopropylamino)benzenesulfonamide
CID 6900166
4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
CID 874024

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide (CID 51061578) is 4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide is CC(=C/c1ccccc1)/C=N/NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The InChIKey is LQCHKKSCHWQNOB-APKIYPECSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-13(11-14-5-3-2-4-6-14)12-18-19-22(20,21)16-9-7-15(17)8-10-16/h2-12,19H,1H3/b13-11-,18-12+.
What are the key properties of 4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide has a molecular weight of 334.83 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide is sourced from PubChem (CID 51061578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).