4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide

C17H20N2O4S — CID 86231496

IUPAC4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-17(2,3)13-6-10-15(11-7-13)24(22,23)19-14-8-4-12(5-9-14)16(20)18-21/h4-11,19,21H,1-3H3,(H,18,20)
InChIKeyXNPLYQHUCJHHLX-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.90
Rot. Bonds4

About 4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide

4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide (PubChem CID 86231496) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide
PubChem CID86231496
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-17(2,3)13-6-10-15(11-7-13)24(22,23)19-14-8-4-12(5-9-14)16(20)18-21/h4-11,19,21H,1-3H3,(H,18,20)
InChIKeyXNPLYQHUCJHHLX-UHFFFAOYSA-N
XLogP2.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.90
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'}

Analyze 4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide 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

N-(4-acetylphenyl)-4-methylbenzene-1-sulfonamide
CID 563797
4-Benzenesulfonylamino-N-hydroxy-benzamide
CID 44328873
4'-(4-Aminobenzoyl)biphenyl-4-Sulfonamide
CID 91995964
N-(4-Acetylphenyl)-4-tert-butylbenzenesulfonamide
CID 583674
N-(4-acetylphenyl)benzenesulfonamide
CID 682447
N-(4-acetylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 795024
3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-propionamide
CID 4144
3-[4-(Biphenyl-4-sulfonylamino)-phenyl]-N-hydroxy-acrylamide
CID 5353765
(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
(E)-N-hydroxy-3-[3-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 10246177
3-[4-(Biphenyl-4-ylsulfamoyl)-phenyl]-N-hydroxy-acrylamide
CID 10271952

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide?
The IUPAC name of 4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide (CID 86231496) is 4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of 4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide?
The InChIKey is XNPLYQHUCJHHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-17(2,3)13-6-10-15(11-7-13)24(22,23)19-14-8-4-12(5-9-14)16(20)18-21/h4-11,19,21H,1-3H3,(H,18,20).
What are the key properties of 4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide?
4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide has a molecular weight of 348.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)sulfonylamino]-N-hydroxybenzamide is sourced from PubChem (CID 86231496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).