N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide

C9H10BrF2NOS — CID 130762737

IUPACN-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide
SMILESCCCS(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C9H10BrF2NOS/c1-2-3-15(14)13-9-7(11)4-6(10)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeyLJFHXHYLAIJCSZ-UHFFFAOYSA-N
MW298.15 g/mol
LogP3.21
Rot. Bonds4

About N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide

N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide (PubChem CID 130762737) has the molecular formula C9H10BrF2NOS and a molecular weight of 298.15 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide
PubChem CID130762737
Molecular FormulaC9H10BrF2NOS
Molecular Weight298.15 g/mol
Exact Mass296.96
IUPAC NameN-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide
SMILESCCCS(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C9H10BrF2NOS/c1-2-3-15(14)13-9-7(11)4-6(10)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeyLJFHXHYLAIJCSZ-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide (CID 130762737) is N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide is CCCS(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide?
The InChIKey is LJFHXHYLAIJCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NOS/c1-2-3-15(14)13-9-7(11)4-6(10)5-8(9)12/h4-5,13H,2-3H2,1H3.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide?
N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide has a molecular weight of 298.15 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)propane-1-sulfinamide is sourced from PubChem (CID 130762737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).