3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide

C25H18BrFN2O4S — CID 175110326

IUPAC3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide
SMILESO=C(Nc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccc(-c2ccccc2)c(Br)c1
InChIInChI=1S/C25H18BrFN2O4S/c26-22-14-17(6-12-21(22)16-4-2-1-3-5-16)25(31)28-19-9-13-24(30)23(15-19)29-34(32,33)20-10-7-18(27)8-11-20/h1-15,29-30H,(H,28,31)
InChIKeyGHLVXAVMZHAZFL-UHFFFAOYSA-N
MW541.40 g/mol
LogP6.01
Rot. Bonds6

About 3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide

3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide (PubChem CID 175110326) has the molecular formula C25H18BrFN2O4S and a molecular weight of 541.40 g/mol. Its IUPAC name is 3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide
PubChem CID175110326
Molecular FormulaC25H18BrFN2O4S
Molecular Weight541.40 g/mol
Exact Mass540.02
IUPAC Name3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide
SMILESO=C(Nc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccc(-c2ccccc2)c(Br)c1
InChIInChI=1S/C25H18BrFN2O4S/c26-22-14-17(6-12-21(22)16-4-2-1-3-5-16)25(31)28-19-9-13-24(30)23(15-19)29-34(32,33)20-10-7-18(27)8-11-20/h1-15,29-30H,(H,28,31)
InChIKeyGHLVXAVMZHAZFL-UHFFFAOYSA-N
XLogP6.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.40
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 19062739
1-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylcyclohexa-2,4-diene-1-carboxamide
CID 175107999
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 1010684
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
N-(3-chlorophenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 7553525

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide?
The IUPAC name of 3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide (CID 175110326) is 3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide.
What is the SMILES notation for 3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide?
The canonical SMILES for 3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide is O=C(Nc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2)c1)c1ccc(-c2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide?
The InChIKey is GHLVXAVMZHAZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrFN2O4S/c26-22-14-17(6-12-21(22)16-4-2-1-3-5-16)25(31)28-19-9-13-24(30)23(15-19)29-34(32,33)20-10-7-18(27)8-11-20/h1-15,29-30H,(H,28,31).
What are the key properties of 3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide?
3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide has a molecular weight of 541.40 g/mol, XLogP of 6.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide is sourced from PubChem (CID 175110326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).