N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide

C12H13NO2S — CID 142835485

IUPACN-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide
SMILESC=C/C=C(\C=C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H13NO2S/c1-3-8-11(4-2)13-16(14,15)12-9-6-5-7-10-12/h3-10,13H,1-2H2/b11-8+
InChIKeyBHJMWFDPBXHWAR-DHZHZOJOSA-N
MW235.31 g/mol
LogP2.22
Rot. Bonds5

About N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide

N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide (PubChem CID 142835485) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide
PubChem CID142835485
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC NameN-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide
SMILESC=C/C=C(\C=C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H13NO2S/c1-3-8-11(4-2)13-16(14,15)12-9-6-5-7-10-12/h3-10,13H,1-2H2/b11-8+
InChIKeyBHJMWFDPBXHWAR-DHZHZOJOSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfamoyl]phenyl]formamide
CID 135224786
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-(benzenesulfonyl)-2-methylprop-2-enamide
CID 15084877
(2Z)-2-(benzenesulfonyl)penta-2,4-dienoic acid
CID 90286525
(E)-N'-(benzenesulfonyl)but-2-enediamide
CID 22610827
methyl N-(benzenesulfonyl)carbamate
CID 676519
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene
CID 134299911
4-amino-N-(benzenesulfonyl)benzamide
CID 12876556
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
bis[(3E)-hexa-1,3,5-trien-3-yl]-methyl-phenyl-λ4-sulfane
CID 142310236
N-(benzenesulfonyl)-2,2-dichloroacetamide
CID 3778605

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide (CID 142835485) is N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide is C=C/C=C(\C=C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide?
The InChIKey is BHJMWFDPBXHWAR-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-3-8-11(4-2)13-16(14,15)12-9-6-5-7-10-12/h3-10,13H,1-2H2/b11-8+.
What are the key properties of N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide?
N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide has a molecular weight of 235.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide is sourced from PubChem (CID 142835485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).