N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide

C14H13BrClNO4S — CID 68580768

IUPACN-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Br)cc(C)c1O
InChIInChI=1S/C14H13BrClNO4S/c1-8-5-9(15)6-11(14(8)18)17-22(19,20)13-7-10(16)3-4-12(13)21-2/h3-7,17-18H,1-2H3
InChIKeyUKRZQHIECWXALF-UHFFFAOYSA-N
MW406.69 g/mol
LogP3.93
Rot. Bonds4

About N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide

N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide (PubChem CID 68580768) has the molecular formula C14H13BrClNO4S and a molecular weight of 406.69 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide
PubChem CID68580768
Molecular FormulaC14H13BrClNO4S
Molecular Weight406.69 g/mol
Exact Mass404.94
IUPAC NameN-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Br)cc(C)c1O
InChIInChI=1S/C14H13BrClNO4S/c1-8-5-9(15)6-11(14(8)18)17-22(19,20)13-7-10(16)3-4-12(13)21-2/h3-7,17-18H,1-2H3
InChIKeyUKRZQHIECWXALF-UHFFFAOYSA-N
XLogP3.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.69
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide 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-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide (CID 68580768) is N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Br)cc(C)c1O.
What is the InChIKey of N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide?
The InChIKey is UKRZQHIECWXALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO4S/c1-8-5-9(15)6-11(14(8)18)17-22(19,20)13-7-10(16)3-4-12(13)21-2/h3-7,17-18H,1-2H3.
What are the key properties of N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide?
N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide has a molecular weight of 406.69 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxy-3-methylphenyl)-5-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 68580768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).