4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide

C15H14N2O3S — CID 2189650

IUPAC4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O3S/c16-21(19,20)14-8-6-13(7-9-14)17-11-10-15(18)12-4-2-1-3-5-12/h1-11,17H,(H2,16,19,20)/b11-10+
InChIKeyRQYZWBKWFKVNDK-ZHACJKMWSA-N
MW302.36 g/mol
LogP2.14
Rot. Bonds5

About 4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide

4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide (PubChem CID 2189650) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide
PubChem CID2189650
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O3S/c16-21(19,20)14-8-6-13(7-9-14)17-11-10-15(18)12-4-2-1-3-5-12/h1-11,17H,(H2,16,19,20)/b11-10+
InChIKeyRQYZWBKWFKVNDK-ZHACJKMWSA-N
XLogP2.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Sulfabenzamide
CID 5319
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
4-(3-(4-Acetylphenyl)ureido)benzenesulfonamide
CID 27870796
4-[(1,4-Dioxo-2-naphthalenyl)amino]benzenesulfonamide
CID 12387471
4-[(3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino]benzenesulfonamide
CID 367783
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
3-Anilino-1-phenyl-2-propen-1-one
CID 5344884
2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
CID 4180608
4-[[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 1728123
4-{[(1E)-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]amino}benzenesulfonamide
CID 1938971

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide (CID 2189650) is 4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide?
The InChIKey is RQYZWBKWFKVNDK-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H14N2O3S/c16-21(19,20)14-8-6-13(7-9-14)17-11-10-15(18)12-4-2-1-3-5-12/h1-11,17H,(H2,16,19,20)/b11-10+.
What are the key properties of 4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide?
4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide is sourced from PubChem (CID 2189650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).