5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide

C17H14N2O4S — CID 4611

IUPAC5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
SMILESO=C(C=CC#Cc1cccc(NS(=O)(=O)c2ccccc2)c1)NO
InChIInChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)
InChIKeyQRPSQQUYPMFERG-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.90
Rot. Bonds4

About 5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide

5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide (PubChem CID 4611) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide.

Molecular Properties

Compound Name5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
PubChem CID4611
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
SMILESO=C(C=CC#Cc1cccc(NS(=O)(=O)c2ccccc2)c1)NO
InChIInChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20)
InChIKeyQRPSQQUYPMFERG-UHFFFAOYSA-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'}

Analyze 5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide 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

Belinostat
CID 6918638
Oxamflatin
CID 5353852
5-(4-Benzenesulfonylamino-phenyl)-pent-2-en-4-ynoic acid hydroxyamide
CID 10154438
4-Benzenesulfonylamino-N-hydroxy-benzamide
CID 44328873
3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-propionamide
CID 4144
3-[4-(Biphenyl-4-sulfonylamino)-phenyl]-N-hydroxy-acrylamide
CID 5353765
3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-acrylamide
CID 5353767
3-[4-(Benzenesulfonyl-methyl-amino)-phenyl]-N-hydroxy-acrylamide
CID 5353769
(E)-N-hydroxy-3-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 9836655
(E)-3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 9858973
(2E)-N-hydroxy-3-{3-[(4-methylphenyl)sulfamoyl]phenyl}prop-2-enamide
CID 9880674
(2E,4E)-5-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-hydroxypenta-2,4-dienamide
CID 9885142

Frequently Asked Questions

What is the IUPAC name of 5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The IUPAC name of 5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide (CID 4611) is 5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide.
What is the SMILES notation for 5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The canonical SMILES for 5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide is O=C(C=CC#Cc1cccc(NS(=O)(=O)c2ccccc2)c1)NO.
What is the InChIKey of 5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The InChIKey is QRPSQQUYPMFERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-17(18-21)12-5-4-7-14-8-6-9-15(13-14)19-24(22,23)16-10-2-1-3-11-16/h1-3,5-6,8-13,19,21H,(H,18,20).
What are the key properties of 5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
5-[3-(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 5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide is sourced from PubChem (CID 4611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).