2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C14H19FN2O4S — CID 900657

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O4S/c1-22(19,20)17(12-5-2-4-11(15)8-12)10-14(18)16-9-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyVHIQQZAACADHKC-CYBMUJFWSA-N
MW330.38 g/mol
LogP0.89
Rot. Bonds6

About 2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 900657) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID900657
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O4S/c1-22(19,20)17(12-5-2-4-11(15)8-12)10-14(18)16-9-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyVHIQQZAACADHKC-CYBMUJFWSA-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-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 900657) is 2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is VHIQQZAACADHKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-22(19,20)17(12-5-2-4-11(15)8-12)10-14(18)16-9-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-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-(3-fluoro-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 900657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).