3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide

C13H11BrClNO3S — CID 106606177

IUPAC3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H11BrClNO3S/c1-8-6-9(17)2-5-13(8)16-20(18,19)10-3-4-12(15)11(14)7-10/h2-7,16-17H,1H3
InChIKeyMFWGXIQUNNIWTB-UHFFFAOYSA-N
MW376.66 g/mol
LogP3.92
Rot. Bonds3

About 3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide

3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide (PubChem CID 106606177) has the molecular formula C13H11BrClNO3S and a molecular weight of 376.66 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
PubChem CID106606177
Molecular FormulaC13H11BrClNO3S
Molecular Weight376.66 g/mol
Exact Mass374.93
IUPAC Name3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H11BrClNO3S/c1-8-6-9(17)2-5-13(8)16-20(18,19)10-3-4-12(15)11(14)7-10/h2-7,16-17H,1H3
InChIKeyMFWGXIQUNNIWTB-UHFFFAOYSA-N
XLogP3.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 53.92
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'}

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Related Compounds

4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 3315949
3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 106612798
5,6-dichloro-N-(4-hydroxy-2-methylphenyl)pyridine-3-sulfonamide
CID 64606325
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 104724699
N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820383
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 107697982
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide (CID 106606177) is 3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide is Cc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide?
The InChIKey is MFWGXIQUNNIWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO3S/c1-8-6-9(17)2-5-13(8)16-20(18,19)10-3-4-12(15)11(14)7-10/h2-7,16-17H,1H3.
What are the key properties of 3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide?
3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide has a molecular weight of 376.66 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 106606177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).