3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide

C15H12BrF2NO3S — CID 4639144

IUPAC3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C15H12BrF2NO3S/c16-10-1-4-12(5-2-10)23(21,22)8-7-15(20)19-14-9-11(17)3-6-13(14)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyBMZNHLXBTNBSCH-UHFFFAOYSA-N
MW404.23 g/mol
LogP3.53
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide (PubChem CID 4639144) has the molecular formula C15H12BrF2NO3S and a molecular weight of 404.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide
PubChem CID4639144
Molecular FormulaC15H12BrF2NO3S
Molecular Weight404.23 g/mol
Exact Mass402.97
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C15H12BrF2NO3S/c16-10-1-4-12(5-2-10)23(21,22)8-7-15(20)19-14-9-11(17)3-6-13(14)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyBMZNHLXBTNBSCH-UHFFFAOYSA-N
XLogP3.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.23
LogP ≤ 53.53
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-(2,5-difluorophenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide (CID 4639144) is 3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cc(F)ccc1F.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide?
The InChIKey is BMZNHLXBTNBSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO3S/c16-10-1-4-12(5-2-10)23(21,22)8-7-15(20)19-14-9-11(17)3-6-13(14)18/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(2,5-difluorophenyl)propanamide has a molecular weight of 404.23 g/mol, XLogP of 3.53, 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-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 4639144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).