N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide

C12H9BrClNO3S — CID 79822200

IUPACN-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Br)ccc1O)c1cccc(Cl)c1
InChIInChI=1S/C12H9BrClNO3S/c13-8-4-5-12(16)11(6-8)15-19(17,18)10-3-1-2-9(14)7-10/h1-7,15-16H
InChIKeyBYYGTCWEXYASOB-UHFFFAOYSA-N
MW362.63 g/mol
LogP3.61
Rot. Bonds3

About N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide

N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide (PubChem CID 79822200) has the molecular formula C12H9BrClNO3S and a molecular weight of 362.63 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide
PubChem CID79822200
Molecular FormulaC12H9BrClNO3S
Molecular Weight362.63 g/mol
Exact Mass360.92
IUPAC NameN-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Br)ccc1O)c1cccc(Cl)c1
InChIInChI=1S/C12H9BrClNO3S/c13-8-4-5-12(16)11(6-8)15-19(17,18)10-3-1-2-9(14)7-10/h1-7,15-16H
InChIKeyBYYGTCWEXYASOB-UHFFFAOYSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.63
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide
CID 114259576
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]-4-hydroxybenzenesulfonamide
CID 26970738
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,6-difluorobenzenesulfonamide
CID 29424831
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide (CID 79822200) is N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide is O=S(=O)(Nc1cc(Br)ccc1O)c1cccc(Cl)c1.
What is the InChIKey of N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide?
The InChIKey is BYYGTCWEXYASOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO3S/c13-8-4-5-12(16)11(6-8)15-19(17,18)10-3-1-2-9(14)7-10/h1-7,15-16H.
What are the key properties of N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide?
N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide has a molecular weight of 362.63 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 79822200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).