2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide

C8H8BrFN2OS — CID 130489654

IUPAC2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide
SMILESNC(=O)CSc1cc(F)c(Br)cc1N
InChIInChI=1S/C8H8BrFN2OS/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3,11H2,(H2,12,13)
InChIKeyWBLUTDAAOYFEMN-UHFFFAOYSA-N
MW279.13 g/mol
LogP1.75
Rot. Bonds3

About 2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide

2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide (PubChem CID 130489654) has the molecular formula C8H8BrFN2OS and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide
PubChem CID130489654
Molecular FormulaC8H8BrFN2OS
Molecular Weight279.13 g/mol
Exact Mass277.95
IUPAC Name2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide
SMILESNC(=O)CSc1cc(F)c(Br)cc1N
InChIInChI=1S/C8H8BrFN2OS/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3,11H2,(H2,12,13)
InChIKeyWBLUTDAAOYFEMN-UHFFFAOYSA-N
XLogP1.75
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide?
The IUPAC name of 2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide (CID 130489654) is 2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for 2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide?
The canonical SMILES for 2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide is NC(=O)CSc1cc(F)c(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide?
The InChIKey is WBLUTDAAOYFEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2OS/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3,11H2,(H2,12,13).
What are the key properties of 2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide?
2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide has a molecular weight of 279.13 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromo-5-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 130489654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).