N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide

C12H9BrClNO3S — CID 81245009

IUPACN-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(Br)c1)c1ccccc1O
InChIInChI=1S/C12H9BrClNO3S/c13-9-7-8(5-6-10(9)14)15-19(17,18)12-4-2-1-3-11(12)16/h1-7,15-16H
InChIKeyBVJDGSQVSBZDFG-UHFFFAOYSA-N
MW362.63 g/mol
LogP3.61
Rot. Bonds3

About N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide

N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide (PubChem CID 81245009) has the molecular formula C12H9BrClNO3S and a molecular weight of 362.63 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide
PubChem CID81245009
Molecular FormulaC12H9BrClNO3S
Molecular Weight362.63 g/mol
Exact Mass360.92
IUPAC NameN-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(Br)c1)c1ccccc1O
InChIInChI=1S/C12H9BrClNO3S/c13-9-7-8(5-6-10(9)14)15-19(17,18)12-4-2-1-3-11(12)16/h1-7,15-16H
InChIKeyBVJDGSQVSBZDFG-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

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Related Compounds

N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088310
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide
CID 106000455
2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 81241100
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide
CID 64787891
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
N-(5-chloro-2-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 81241185
N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 4876033
N-(3-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80686183
2-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 113353666

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide (CID 81245009) is N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(Br)c1)c1ccccc1O.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is BVJDGSQVSBZDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO3S/c13-9-7-8(5-6-10(9)14)15-19(17,18)12-4-2-1-3-11(12)16/h1-7,15-16H.
What are the key properties of N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide?
N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide 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-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 81245009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).