(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide

C17H14N2O4S — CID 10154438

IUPAC(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
SMILESO=C(/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
InChIKeyIVTKCTFTVKYWIQ-WEVVVXLNSA-N
MW342.38 g/mol
LogP1.90
Rot. Bonds4

About (E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide

(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide (PubChem CID 10154438) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is (E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide.

Molecular Properties

Compound Name(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
PubChem CID10154438
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
SMILESO=C(/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
InChIKeyIVTKCTFTVKYWIQ-WEVVVXLNSA-N
XLogP1.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.90
H-Bond Donors ≤ 53
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The IUPAC name of (E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide (CID 10154438) is (E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide.
What is the SMILES notation for (E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The canonical SMILES for (E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide is O=C(/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO.
What is the InChIKey of (E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The InChIKey is IVTKCTFTVKYWIQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+.
What are the key properties of (E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide has a molecular weight of 342.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide is sourced from PubChem (CID 10154438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).