N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide

C17H18N2O2S — CID 23578959

IUPACN-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide
SMILESC/N=C(/C=C(\C)NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-14(13-17(18-2)15-9-5-3-6-10-15)19-22(20,21)16-11-7-4-8-12-16/h3-13,19H,1-2H3/b14-13+,18-17-
InChIKeyFVAMFCTVKBZDMJ-ZOHXKJJCSA-N
MW314.41 g/mol
LogP2.99
Rot. Bonds5

About N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide

N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide (PubChem CID 23578959) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide
PubChem CID23578959
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide
SMILESC/N=C(/C=C(\C)NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-14(13-17(18-2)15-9-5-3-6-10-15)19-22(20,21)16-11-7-4-8-12-16/h3-13,19H,1-2H3/b14-13+,18-17-
InChIKeyFVAMFCTVKBZDMJ-ZOHXKJJCSA-N
XLogP2.99
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide?
The IUPAC name of N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide (CID 23578959) is N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide is C/N=C(/C=C(\C)NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide?
The InChIKey is FVAMFCTVKBZDMJ-ZOHXKJJCSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-14(13-17(18-2)15-9-5-3-6-10-15)19-22(20,21)16-11-7-4-8-12-16/h3-13,19H,1-2H3/b14-13+,18-17-.
What are the key properties of N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide?
N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-methylimino-4-phenylbut-2-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 23578959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).