2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C14H19FN2O4S — CID 801847

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccccc1F
InChIInChI=1S/C14H19FN2O4S/c1-22(19,20)17(13-7-3-2-6-12(13)15)10-14(18)16-9-11-5-4-8-21-11/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyIWNPZGILMWQYFI-NSHDSACASA-N
MW330.38 g/mol
LogP0.89
Rot. Bonds6

About 2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 801847) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID801847
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccccc1F
InChIInChI=1S/C14H19FN2O4S/c1-22(19,20)17(13-7-3-2-6-12(13)15)10-14(18)16-9-11-5-4-8-21-11/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyIWNPZGILMWQYFI-NSHDSACASA-N
XLogP0.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 801847) is 2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccccc1F.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is IWNPZGILMWQYFI-NSHDSACASA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-22(19,20)17(13-7-3-2-6-12(13)15)10-14(18)16-9-11-5-4-8-21-11/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 801847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).