3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide

C15H16N2O4S — CID 4144

IUPAC3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide
SMILESO=C(CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C15H16N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-7,9-10,17,19H,8,11H2,(H,16,18)
InChIKeyUDTWOBDYINGQOW-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.93
Rot. Bonds6

About 3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide

3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide (PubChem CID 4144) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide
PubChem CID4144
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide
SMILESO=C(CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C15H16N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-7,9-10,17,19H,8,11H2,(H,16,18)
InChIKeyUDTWOBDYINGQOW-UHFFFAOYSA-N
XLogP1.93
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Belinostat
CID 6918638
Sulfabenzamide
CID 5319
Oxamflatin
CID 5353852
5-(4-Benzenesulfonylamino-phenyl)-pent-2-en-4-ynoic acid hydroxyamide
CID 10154438
4-Benzenesulfonylamino-N-hydroxy-benzamide
CID 44328873
5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
CID 4611
3-[4-(Biphenyl-4-sulfonylamino)-phenyl]-N-hydroxy-acrylamide
CID 5353765
3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-acrylamide
CID 5353767
(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
(E)-N-hydroxy-3-[3-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10157466

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide?
The IUPAC name of 3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide (CID 4144) is 3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide?
The canonical SMILES for 3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide is O=C(CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO.
What is the InChIKey of 3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide?
The InChIKey is UDTWOBDYINGQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-7,9-10,17,19H,8,11H2,(H,16,18).
What are the key properties of 3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide?
3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide has a molecular weight of 320.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzenesulfonamido)phenyl]-N-hydroxypropanamide is sourced from PubChem (CID 4144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).