N-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide

C15H16BrNO3S — CID 992511

IUPACN-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1
InChIInChI=1S/C15H16BrNO3S/c1-10(2)11-3-6-13(7-4-11)21(19,20)17-12-5-8-15(18)14(16)9-12/h3-10,17-18H,1-2H3
InChIKeyPHFZAIMLJZXLKT-UHFFFAOYSA-N
MW370.27 g/mol
LogP4.08
Rot. Bonds4

About N-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide

N-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 992511) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID992511
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC NameN-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1
InChIInChI=1S/C15H16BrNO3S/c1-10(2)11-3-6-13(7-4-11)21(19,20)17-12-5-8-15(18)14(16)9-12/h3-10,17-18H,1-2H3
InChIKeyPHFZAIMLJZXLKT-UHFFFAOYSA-N
XLogP4.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 54.08
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-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide 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-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide (CID 992511) is N-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is PHFZAIMLJZXLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-10(2)11-3-6-13(7-4-11)21(19,20)17-12-5-8-15(18)14(16)9-12/h3-10,17-18H,1-2H3.
What are the key properties of N-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide?
N-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-hydroxyphenyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 992511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).