3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide

C15H12BrF2NO3S — CID 3347766

IUPAC3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H12BrF2NO3S/c16-10-4-6-11(7-5-10)23(21,22)9-8-14(20)19-15-12(17)2-1-3-13(15)18/h1-7H,8-9H2,(H,19,20)
InChIKeySAJZBJQMKWFDBB-UHFFFAOYSA-N
MW404.23 g/mol
LogP3.53
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide (PubChem CID 3347766) has the molecular formula C15H12BrF2NO3S and a molecular weight of 404.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide
PubChem CID3347766
Molecular FormulaC15H12BrF2NO3S
Molecular Weight404.23 g/mol
Exact Mass402.97
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H12BrF2NO3S/c16-10-4-6-11(7-5-10)23(21,22)9-8-14(20)19-15-12(17)2-1-3-13(15)18/h1-7H,8-9H2,(H,19,20)
InChIKeySAJZBJQMKWFDBB-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-(2,6-difluorophenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide (CID 3347766) is 3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1c(F)cccc1F.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide?
The InChIKey is SAJZBJQMKWFDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO3S/c16-10-4-6-11(7-5-10)23(21,22)9-8-14(20)19-15-12(17)2-1-3-13(15)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(2,6-difluorophenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(2,6-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-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 3347766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).