3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide

C19H14BrClFNO3S — CID 146546031

IUPAC3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide
SMILESCN(c1cc(-c2ccccc2)ccc1F)S(=O)(=O)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C19H14BrClFNO3S/c1-23(27(25,26)18-11-14(21)10-15(20)19(18)24)17-9-13(7-8-16(17)22)12-5-3-2-4-6-12/h2-11,24H,1H3
InChIKeyYBEIQYJUQXSMEL-UHFFFAOYSA-N
MW470.75 g/mol
LogP5.44
Rot. Bonds4

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

3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide (PubChem CID 146546031) has the molecular formula C19H14BrClFNO3S and a molecular weight of 470.75 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide
PubChem CID146546031
Molecular FormulaC19H14BrClFNO3S
Molecular Weight470.75 g/mol
Exact Mass468.96
IUPAC Name3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide
SMILESCN(c1cc(-c2ccccc2)ccc1F)S(=O)(=O)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C19H14BrClFNO3S/c1-23(27(25,26)18-11-14(21)10-15(20)19(18)24)17-9-13(7-8-16(17)22)12-5-3-2-4-6-12/h2-11,24H,1H3
InChIKeyYBEIQYJUQXSMEL-UHFFFAOYSA-N
XLogP5.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.75
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide (CID 146546031) is 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide is CN(c1cc(-c2ccccc2)ccc1F)S(=O)(=O)c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is YBEIQYJUQXSMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClFNO3S/c1-23(27(25,26)18-11-14(21)10-15(20)19(18)24)17-9-13(7-8-16(17)22)12-5-3-2-4-6-12/h2-11,24H,1H3.
What are the key properties of 3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide?
3-bromo-5-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 470.75 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 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-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 146546031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).