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

C18H13BrFNO3S — CID 146601134

IUPAC5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Br)ccc1O
InChIInChI=1S/C18H13BrFNO3S/c19-14-7-9-17(22)18(11-14)25(23,24)21-16-10-13(6-8-15(16)20)12-4-2-1-3-5-12/h1-11,21-22H
InChIKeyDBNPWSJQXLDXFW-UHFFFAOYSA-N
MW422.28 g/mol
LogP4.76
Rot. Bonds4

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

5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 146601134) has the molecular formula C18H13BrFNO3S and a molecular weight of 422.28 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
PubChem CID146601134
Molecular FormulaC18H13BrFNO3S
Molecular Weight422.28 g/mol
Exact Mass420.98
IUPAC Name5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Br)ccc1O
InChIInChI=1S/C18H13BrFNO3S/c19-14-7-9-17(22)18(11-14)25(23,24)21-16-10-13(6-8-15(16)20)12-4-2-1-3-5-12/h1-11,21-22H
InChIKeyDBNPWSJQXLDXFW-UHFFFAOYSA-N
XLogP4.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (CID 146601134) is 5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is DBNPWSJQXLDXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFNO3S/c19-14-7-9-17(22)18(11-14)25(23,24)21-16-10-13(6-8-15(16)20)12-4-2-1-3-5-12/h1-11,21-22H.
What are the key properties of 5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 422.28 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146601134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).