3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

C18H12BrClFNO3S — CID 146545732

IUPAC3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C18H12BrClFNO3S/c19-14-9-13(20)10-17(18(14)23)26(24,25)22-16-8-12(6-7-15(16)21)11-4-2-1-3-5-11/h1-10,22-23H
InChIKeyDUMBVCULMVWSFG-UHFFFAOYSA-N
MW456.72 g/mol
LogP5.41
Rot. Bonds4

About 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 146545732) has the molecular formula C18H12BrClFNO3S and a molecular weight of 456.72 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
PubChem CID146545732
Molecular FormulaC18H12BrClFNO3S
Molecular Weight456.72 g/mol
Exact Mass454.94
IUPAC Name3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C18H12BrClFNO3S/c19-14-9-13(20)10-17(18(14)23)26(24,25)22-16-8-12(6-7-15(16)21)11-4-2-1-3-5-11/h1-10,22-23H
InChIKeyDUMBVCULMVWSFG-UHFFFAOYSA-N
XLogP5.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.72
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
5-bromo-3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545883
3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545968
3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545977
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide
CID 146546018
5-bromo-3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146546023
3-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
CID 146546028
N-benzyl-3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545789
5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545986
3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide
CID 146546031
5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146601134
N-benzyl-3-bromo-5-chloro-N-[2-fluoro-5-(3-methylphenyl)phenyl]-2-hydroxybenzenesulfonamide
CID 146600736

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (CID 146545732) is 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is DUMBVCULMVWSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClFNO3S/c19-14-9-13(20)10-17(18(14)23)26(24,25)22-16-8-12(6-7-15(16)21)11-4-2-1-3-5-11/h1-10,22-23H.
What are the key properties of 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 456.72 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146545732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).