6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide

C12H13NO4S — CID 85078809

IUPAC6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide
SMILESO=C(C=CC=CCS(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C12H13NO4S/c14-12(13-15)9-5-2-6-10-18(16,17)11-7-3-1-4-8-11/h1-9,15H,10H2,(H,13,14)
InChIKeyDUBFUKJQICHRPJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.08
Rot. Bonds5

About 6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide

6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide (PubChem CID 85078809) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide.

Molecular Properties

Compound Name6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide
PubChem CID85078809
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide
SMILESO=C(C=CC=CCS(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C12H13NO4S/c14-12(13-15)9-5-2-6-10-18(16,17)11-7-3-1-4-8-11/h1-9,15H,10H2,(H,13,14)
InChIKeyDUBFUKJQICHRPJ-UHFFFAOYSA-N
XLogP1.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide?
The IUPAC name of 6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide (CID 85078809) is 6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide.
What is the SMILES notation for 6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide?
The canonical SMILES for 6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide is O=C(C=CC=CCS(=O)(=O)c1ccccc1)NO.
What is the InChIKey of 6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide?
The InChIKey is DUBFUKJQICHRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c14-12(13-15)9-5-2-6-10-18(16,17)11-7-3-1-4-8-11/h1-9,15H,10H2,(H,13,14).
What are the key properties of 6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide?
6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide has a molecular weight of 267.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-N-hydroxyhexa-2,4-dienamide is sourced from PubChem (CID 85078809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).