4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide

C15H15NO4S — CID 82165414

IUPAC4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2O)cc1
InChIInChI=1S/C15H15NO4S/c1-10-3-8-14(15(18)9-10)16-21(19,20)13-6-4-12(5-7-13)11(2)17/h3-9,16,18H,1-2H3
InChIKeyCWQYIEFDDCAYFG-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.70
Rot. Bonds4

About 4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide

4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide (PubChem CID 82165414) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
PubChem CID82165414
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2O)cc1
InChIInChI=1S/C15H15NO4S/c1-10-3-8-14(15(18)9-10)16-21(19,20)13-6-4-12(5-7-13)11(2)17/h3-9,16,18H,1-2H3
InChIKeyCWQYIEFDDCAYFG-UHFFFAOYSA-N
XLogP2.70
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 43384594
tert-butyl 3-hydroxy-4-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372622
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
4-(cyanomethyl)-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 79185670
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide
CID 110777550
3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 26950297
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 849290
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 103763982
4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide
CID 103907893

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide (CID 82165414) is 4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2O)cc1.
What is the InChIKey of 4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is CWQYIEFDDCAYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10-3-8-14(15(18)9-10)16-21(19,20)13-6-4-12(5-7-13)11(2)17/h3-9,16,18H,1-2H3.
What are the key properties of 4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide?
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 82165414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).