2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide

C14H19FN2O4S — CID 142837236

IUPAC2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide
SMILESCc1cc(S(=O)(=O)C(N)(C(N)=O)C2CCCCO2)ccc1F
InChIInChI=1S/C14H19FN2O4S/c1-9-8-10(5-6-11(9)15)22(19,20)14(17,13(16)18)12-4-2-3-7-21-12/h5-6,8,12H,2-4,7,17H2,1H3,(H2,16,18)
InChIKeyOGIYDDYAVBAEIL-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.62
Rot. Bonds4

About 2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide

2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide (PubChem CID 142837236) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound Name2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide
PubChem CID142837236
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide
SMILESCc1cc(S(=O)(=O)C(N)(C(N)=O)C2CCCCO2)ccc1F
InChIInChI=1S/C14H19FN2O4S/c1-9-8-10(5-6-11(9)15)22(19,20)14(17,13(16)18)12-4-2-3-7-21-12/h5-6,8,12H,2-4,7,17H2,1H3,(H2,16,18)
InChIKeyOGIYDDYAVBAEIL-UHFFFAOYSA-N
XLogP0.62
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide?
The IUPAC name of 2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide (CID 142837236) is 2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide.
What is the SMILES notation for 2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide?
The canonical SMILES for 2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide is Cc1cc(S(=O)(=O)C(N)(C(N)=O)C2CCCCO2)ccc1F.
What is the InChIKey of 2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide?
The InChIKey is OGIYDDYAVBAEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-9-8-10(5-6-11(9)15)22(19,20)14(17,13(16)18)12-4-2-3-7-21-12/h5-6,8,12H,2-4,7,17H2,1H3,(H2,16,18).
What are the key properties of 2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide?
2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide has a molecular weight of 330.38 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 142837236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).