N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide

C19H13BrFNO4S — CID 110166027

IUPACN-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1Br)c1cc(F)ccc1Oc1ccccc1
InChIInChI=1S/C19H13BrFNO4S/c20-16-8-4-5-9-18(16)27(24,25)22-19(23)15-12-13(21)10-11-17(15)26-14-6-2-1-3-7-14/h1-12H,(H,22,23)
InChIKeyFPNYTHWQAADCOR-UHFFFAOYSA-N
MW450.29 g/mol
LogP4.50
Rot. Bonds5

About N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide

N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide (PubChem CID 110166027) has the molecular formula C19H13BrFNO4S and a molecular weight of 450.29 g/mol. Its IUPAC name is N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide
PubChem CID110166027
Molecular FormulaC19H13BrFNO4S
Molecular Weight450.29 g/mol
Exact Mass448.97
IUPAC NameN-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1Br)c1cc(F)ccc1Oc1ccccc1
InChIInChI=1S/C19H13BrFNO4S/c20-16-8-4-5-9-18(16)27(24,25)22-19(23)15-12-13(21)10-11-17(15)26-14-6-2-1-3-7-14/h1-12H,(H,22,23)
InChIKeyFPNYTHWQAADCOR-UHFFFAOYSA-N
XLogP4.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.29
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide?
The IUPAC name of N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide (CID 110166027) is N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide.
What is the SMILES notation for N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide?
The canonical SMILES for N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide is O=C(NS(=O)(=O)c1ccccc1Br)c1cc(F)ccc1Oc1ccccc1.
What is the InChIKey of N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide?
The InChIKey is FPNYTHWQAADCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFNO4S/c20-16-8-4-5-9-18(16)27(24,25)22-19(23)15-12-13(21)10-11-17(15)26-14-6-2-1-3-7-14/h1-12H,(H,22,23).
What are the key properties of N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide?
N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide has a molecular weight of 450.29 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide is sourced from PubChem (CID 110166027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).