2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone

C13H13NO4S — CID 67572828

IUPAC2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(N)C(=O)c2ccco2)cc1
InChIInChI=1S/C13H13NO4S/c1-19(16,17)10-6-4-9(5-7-10)12(14)13(15)11-3-2-8-18-11/h2-8,12H,14H2,1H3
InChIKeyDXTLYGNSVIMSFV-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone

2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone (PubChem CID 67572828) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone
PubChem CID67572828
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(N)C(=O)c2ccco2)cc1
InChIInChI=1S/C13H13NO4S/c1-19(16,17)10-6-4-9(5-7-10)12(14)13(15)11-3-2-8-18-11/h2-8,12H,14H2,1H3
InChIKeyDXTLYGNSVIMSFV-UHFFFAOYSA-N
XLogP1.57
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone (CID 67572828) is 2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(N)C(=O)c2ccco2)cc1.
What is the InChIKey of 2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone?
The InChIKey is DXTLYGNSVIMSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-19(16,17)10-6-4-9(5-7-10)12(14)13(15)11-3-2-8-18-11/h2-8,12H,14H2,1H3.
What are the key properties of 2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone?
2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone has a molecular weight of 279.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(furan-2-yl)-2-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 67572828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).