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

C15H13BrFNO3S — CID 3457959

IUPAC3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1F
InChIInChI=1S/C15H13BrFNO3S/c16-11-5-7-12(8-6-11)22(20,21)10-9-15(19)18-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19)
InChIKeyYSXLBMVSJUCGHB-UHFFFAOYSA-N
MW386.24 g/mol
LogP3.39
Rot. Bonds5

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

3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide (PubChem CID 3457959) has the molecular formula C15H13BrFNO3S and a molecular weight of 386.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide
PubChem CID3457959
Molecular FormulaC15H13BrFNO3S
Molecular Weight386.24 g/mol
Exact Mass384.98
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1F
InChIInChI=1S/C15H13BrFNO3S/c16-11-5-7-12(8-6-11)22(20,21)10-9-15(19)18-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19)
InChIKeyYSXLBMVSJUCGHB-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide (CID 3457959) is 3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1F.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide?
The InChIKey is YSXLBMVSJUCGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3S/c16-11-5-7-12(8-6-11)22(20,21)10-9-15(19)18-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H,18,19).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide 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 3-(4-bromophenyl)sulfonyl-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 3457959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).