N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide

C21H17BrFNO3S — CID 110166037

IUPACN-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
SMILESO=C(NS(=O)(=O)c1ccccc1Br)C(Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H17BrFNO3S/c22-19-8-4-5-9-20(19)28(26,27)24-21(25)18(16-6-2-1-3-7-16)14-15-10-12-17(23)13-11-15/h1-13,18H,14H2,(H,24,25)
InChIKeyAYZXLBIENHVYIH-UHFFFAOYSA-N
MW462.34 g/mol
LogP4.42
Rot. Bonds6

About N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide

N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide (PubChem CID 110166037) has the molecular formula C21H17BrFNO3S and a molecular weight of 462.34 g/mol. Its IUPAC name is N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
PubChem CID110166037
Molecular FormulaC21H17BrFNO3S
Molecular Weight462.34 g/mol
Exact Mass461.01
IUPAC NameN-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
SMILESO=C(NS(=O)(=O)c1ccccc1Br)C(Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H17BrFNO3S/c22-19-8-4-5-9-20(19)28(26,27)24-21(25)18(16-6-2-1-3-7-16)14-15-10-12-17(23)13-11-15/h1-13,18H,14H2,(H,24,25)
InChIKeyAYZXLBIENHVYIH-UHFFFAOYSA-N
XLogP4.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide?
The IUPAC name of N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide (CID 110166037) is N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide.
What is the SMILES notation for N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide?
The canonical SMILES for N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide is O=C(NS(=O)(=O)c1ccccc1Br)C(Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide?
The InChIKey is AYZXLBIENHVYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFNO3S/c22-19-8-4-5-9-20(19)28(26,27)24-21(25)18(16-6-2-1-3-7-16)14-15-10-12-17(23)13-11-15/h1-13,18H,14H2,(H,24,25).
What are the key properties of N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide?
N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide has a molecular weight of 462.34 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide is sourced from PubChem (CID 110166037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).