5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide

C13H11BrClNO4S — CID 155555207

IUPAC5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C13H11BrClNO4S/c1-20-12-5-2-8(14)6-13(12)21(18,19)16-10-4-3-9(15)7-11(10)17/h2-7,16-17H,1H3
InChIKeyBZVGTEQHABVNJF-UHFFFAOYSA-N
MW392.66 g/mol
LogP3.62
Rot. Bonds4

About 5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide

5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide (PubChem CID 155555207) has the molecular formula C13H11BrClNO4S and a molecular weight of 392.66 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
PubChem CID155555207
Molecular FormulaC13H11BrClNO4S
Molecular Weight392.66 g/mol
Exact Mass390.93
IUPAC Name5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C13H11BrClNO4S/c1-20-12-5-2-8(14)6-13(12)21(18,19)16-10-4-3-9(15)7-11(10)17/h2-7,16-17H,1H3
InChIKeyBZVGTEQHABVNJF-UHFFFAOYSA-N
XLogP3.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.66
LogP ≤ 53.62
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

5-bromo-N-[4-chloro-2-(hydroxymethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3518295
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 7938341
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43604964
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 84563791
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 74225212
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide
CID 3852204
5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide
CID 15983058

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide (CID 155555207) is 5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1O.
What is the InChIKey of 5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is BZVGTEQHABVNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO4S/c1-20-12-5-2-8(14)6-13(12)21(18,19)16-10-4-3-9(15)7-11(10)17/h2-7,16-17H,1H3.
What are the key properties of 5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide?
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 392.66 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 155555207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).