N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide

C9H11BrFNOS — CID 130834461

IUPACN-(4-bromo-2-fluorophenyl)propane-2-sulfinamide
SMILESCC(C)S(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNOS/c1-6(2)14(13)12-9-4-3-7(10)5-8(9)11/h3-6,12H,1-2H3
InChIKeyVMOSIDWDLPIXMV-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.07
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide

N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide (PubChem CID 130834461) has the molecular formula C9H11BrFNOS and a molecular weight of 280.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)propane-2-sulfinamide
PubChem CID130834461
Molecular FormulaC9H11BrFNOS
Molecular Weight280.16 g/mol
Exact Mass278.97
IUPAC NameN-(4-bromo-2-fluorophenyl)propane-2-sulfinamide
SMILESCC(C)S(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNOS/c1-6(2)14(13)12-9-4-3-7(10)5-8(9)11/h3-6,12H,1-2H3
InChIKeyVMOSIDWDLPIXMV-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.07
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-fluorophenyl)propane-2-sulfinamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide (CID 130834461) is N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide is CC(C)S(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide?
The InChIKey is VMOSIDWDLPIXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNOS/c1-6(2)14(13)12-9-4-3-7(10)5-8(9)11/h3-6,12H,1-2H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide?
N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide has a molecular weight of 280.16 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)propane-2-sulfinamide is sourced from PubChem (CID 130834461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).