4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide

C16H18N2O4S — CID 18618646

IUPAC4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide
SMILESO=C(CCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C16H18N2O4S/c19-16(17-20)8-4-5-13-9-11-14(12-10-13)18-23(21,22)15-6-2-1-3-7-15/h1-3,6-7,9-12,18,20H,4-5,8H2,(H,17,19)
InChIKeyKJRQLODJJCERFP-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.32
Rot. Bonds7

About 4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide

4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide (PubChem CID 18618646) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide
PubChem CID18618646
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide
SMILESO=C(CCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C16H18N2O4S/c19-16(17-20)8-4-5-13-9-11-14(12-10-13)18-23(21,22)15-6-2-1-3-7-15/h1-3,6-7,9-12,18,20H,4-5,8H2,(H,17,19)
InChIKeyKJRQLODJJCERFP-UHFFFAOYSA-N
XLogP2.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide?
The IUPAC name of 4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide (CID 18618646) is 4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide?
The canonical SMILES for 4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide is O=C(CCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO.
What is the InChIKey of 4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide?
The InChIKey is KJRQLODJJCERFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-16(17-20)8-4-5-13-9-11-14(12-10-13)18-23(21,22)15-6-2-1-3-7-15/h1-3,6-7,9-12,18,20H,4-5,8H2,(H,17,19).
What are the key properties of 4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide?
4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide has a molecular weight of 334.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonamido)phenyl]-N-hydroxybutanamide is sourced from PubChem (CID 18618646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).