N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide

C12H8BrCl2NO3S — CID 107791874

IUPACN-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(Cl)c1Cl)c1cccc(O)c1
InChIInChI=1S/C12H8BrCl2NO3S/c13-9-4-5-10(12(15)11(9)14)16-20(18,19)8-3-1-2-7(17)6-8/h1-6,16-17H
InChIKeyJFBQCKAOLOLLLO-UHFFFAOYSA-N
MW397.08 g/mol
LogP4.26
Rot. Bonds3

About N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide

N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide (PubChem CID 107791874) has the molecular formula C12H8BrCl2NO3S and a molecular weight of 397.08 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide
PubChem CID107791874
Molecular FormulaC12H8BrCl2NO3S
Molecular Weight397.08 g/mol
Exact Mass394.88
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(Cl)c1Cl)c1cccc(O)c1
InChIInChI=1S/C12H8BrCl2NO3S/c13-9-4-5-10(12(15)11(9)14)16-20(18,19)8-3-1-2-7(17)6-8/h1-6,16-17H
InChIKeyJFBQCKAOLOLLLO-UHFFFAOYSA-N
XLogP4.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.08
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 104724699
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide
CID 103416212
N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide
CID 107792813
N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 64787368
N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 81258256
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
N-(2,5-difluorophenyl)-3-hydroxybenzenesulfonamide
CID 81258697
N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107794350
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107793260

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide (CID 107791874) is N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide is O=S(=O)(Nc1ccc(Br)c(Cl)c1Cl)c1cccc(O)c1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide?
The InChIKey is JFBQCKAOLOLLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO3S/c13-9-4-5-10(12(15)11(9)14)16-20(18,19)8-3-1-2-7(17)6-8/h1-6,16-17H.
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide?
N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide has a molecular weight of 397.08 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 107791874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).