N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide

C15H13BrFNO3S — CID 7544356

IUPACN-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO3S/c16-11-1-5-13(6-2-11)18-15(19)9-10-22(20,21)14-7-3-12(17)4-8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyVZRNCIYSZFGJTC-UHFFFAOYSA-N
MW386.24 g/mol
LogP3.39
Rot. Bonds5

About N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide

N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 7544356) has the molecular formula C15H13BrFNO3S and a molecular weight of 386.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID7544356
Molecular FormulaC15H13BrFNO3S
Molecular Weight386.24 g/mol
Exact Mass384.98
IUPAC NameN-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO3S/c16-11-1-5-13(6-2-11)18-15(19)9-10-22(20,21)14-7-3-12(17)4-8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyVZRNCIYSZFGJTC-UHFFFAOYSA-N
XLogP3.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide (CID 7544356) is N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is VZRNCIYSZFGJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3S/c16-11-1-5-13(6-2-11)18-15(19)9-10-22(20,21)14-7-3-12(17)4-8-14/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide?
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 386.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 7544356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).