N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide

C16H19NO3S — CID 693420

IUPACN-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)c(C(C)C)cc1O
InChIInChI=1S/C16H19NO3S/c1-11(2)14-10-16(18)12(3)9-15(14)17-21(19,20)13-7-5-4-6-8-13/h4-11,17-18H,1-3H3
InChIKeyRJXQSYOXYMQAPV-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.62
Rot. Bonds4

About N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide

N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 693420) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide
PubChem CID693420
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)c(C(C)C)cc1O
InChIInChI=1S/C16H19NO3S/c1-11(2)14-10-16(18)12(3)9-15(14)17-21(19,20)13-7-5-4-6-8-13/h4-11,17-18H,1-3H3
InChIKeyRJXQSYOXYMQAPV-UHFFFAOYSA-N
XLogP3.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide (CID 693420) is N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccccc2)c(C(C)C)cc1O.
What is the InChIKey of N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is RJXQSYOXYMQAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11(2)14-10-16(18)12(3)9-15(14)17-21(19,20)13-7-5-4-6-8-13/h4-11,17-18H,1-3H3.
What are the key properties of N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide?
N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 693420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).