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

C16H16N2O2S — CID 5372747

IUPAC4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C\C=C\c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-14-9-11-16(12-10-14)21(19,20)18-17-13-5-8-15-6-3-2-4-7-15/h2-13,18H,1H3/b8-5+,17-13-
InChIKeyKTJCQVMWEPIPJX-ZCHSMSPKSA-N
MW300.38 g/mol
LogP2.97
Rot. Bonds5

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

4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide (PubChem CID 5372747) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
PubChem CID5372747
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C\C=C\c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-14-9-11-16(12-10-14)21(19,20)18-17-13-5-8-15-6-3-2-4-7-15/h2-13,18H,1H3/b8-5+,17-13-
InChIKeyKTJCQVMWEPIPJX-ZCHSMSPKSA-N
XLogP2.97
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.97
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide (CID 5372747) is 4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C\C=C\c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
The InChIKey is KTJCQVMWEPIPJX-ZCHSMSPKSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-14-9-11-16(12-10-14)21(19,20)18-17-13-5-8-15-6-3-2-4-7-15/h2-13,18H,1H3/b8-5+,17-13-.
What are the key properties of 4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide?
4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide is sourced from PubChem (CID 5372747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).