N-(3-sulfamoylphenyl)hexa-2,4-dienamide

C12H14N2O3S — CID 60635779

IUPACN-(3-sulfamoylphenyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H14N2O3S/c1-2-3-4-8-12(15)14-10-6-5-7-11(9-10)18(13,16)17/h2-9H,1H3,(H,14,15)(H2,13,16,17)
InChIKeyVLNMHIWSDRAGHI-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.40
Rot. Bonds4

About N-(3-sulfamoylphenyl)hexa-2,4-dienamide

N-(3-sulfamoylphenyl)hexa-2,4-dienamide (PubChem CID 60635779) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(3-sulfamoylphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(3-sulfamoylphenyl)hexa-2,4-dienamide
PubChem CID60635779
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(3-sulfamoylphenyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H14N2O3S/c1-2-3-4-8-12(15)14-10-6-5-7-11(9-10)18(13,16)17/h2-9H,1H3,(H,14,15)(H2,13,16,17)
InChIKeyVLNMHIWSDRAGHI-UHFFFAOYSA-N
XLogP1.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-(3-pyrrolidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 9415021
(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5348189
N-[1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 60668579
(E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9412994
(2E,4E)-N-[3-(hydroxymethyl)phenyl]hexa-2,4-dienamide
CID 60638423
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9413091
(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 34752671
(2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide
CID 17460381
(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide
CID 55027801
N-[4-[[(2E,4E)-hexa-2,4-dienoyl]amino]-2-methylphenyl]-3-methylsulfonylbenzamide
CID 35345299
(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 95333326

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylphenyl)hexa-2,4-dienamide?
The IUPAC name of N-(3-sulfamoylphenyl)hexa-2,4-dienamide (CID 60635779) is N-(3-sulfamoylphenyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(3-sulfamoylphenyl)hexa-2,4-dienamide?
The canonical SMILES for N-(3-sulfamoylphenyl)hexa-2,4-dienamide is CC=CC=CC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-(3-sulfamoylphenyl)hexa-2,4-dienamide?
The InChIKey is VLNMHIWSDRAGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-2-3-4-8-12(15)14-10-6-5-7-11(9-10)18(13,16)17/h2-9H,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(3-sulfamoylphenyl)hexa-2,4-dienamide?
N-(3-sulfamoylphenyl)hexa-2,4-dienamide has a molecular weight of 266.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 60635779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).