N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide

C13H16FNO4S — CID 146089335

IUPACN-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide
SMILESCN(C(=O)CC1CCOC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO4S/c1-15(13(16)8-10-6-7-19-9-10)20(17,18)12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeySMEHCBZSZDTLEI-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.40
Rot. Bonds4

About N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide

N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide (PubChem CID 146089335) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide
PubChem CID146089335
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC NameN-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide
SMILESCN(C(=O)CC1CCOC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO4S/c1-15(13(16)8-10-6-7-19-9-10)20(17,18)12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeySMEHCBZSZDTLEI-UHFFFAOYSA-N
XLogP1.40
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide (CID 146089335) is N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide is CN(C(=O)CC1CCOC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide?
The InChIKey is SMEHCBZSZDTLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c1-15(13(16)8-10-6-7-19-9-10)20(17,18)12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3.
What are the key properties of N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide?
N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide has a molecular weight of 301.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonyl-N-methyl-2-(oxolan-3-yl)acetamide is sourced from PubChem (CID 146089335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).