N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide

C14H11BrFNOS — CID 2972777

IUPACN-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C14H11BrFNOS/c15-10-2-1-3-12(8-10)17-14(18)9-19-13-6-4-11(16)5-7-13/h1-8H,9H2,(H,17,18)
InChIKeyXWWBESWJLJADAZ-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.32
Rot. Bonds4

About N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 2972777) has the molecular formula C14H11BrFNOS and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID2972777
Molecular FormulaC14H11BrFNOS
Molecular Weight340.22 g/mol
Exact Mass338.97
IUPAC NameN-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C14H11BrFNOS/c15-10-2-1-3-12(8-10)17-14(18)9-19-13-6-4-11(16)5-7-13/h1-8H,9H2,(H,17,18)
InChIKeyXWWBESWJLJADAZ-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 2972777) is N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is XWWBESWJLJADAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS/c15-10-2-1-3-12(8-10)17-14(18)9-19-13-6-4-11(16)5-7-13/h1-8H,9H2,(H,17,18).
What are the key properties of N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 340.22 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2972777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).