N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide

C12H15FN2O4S — CID 79762826

IUPACN-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C12H15FN2O4S/c1-7-9(4-5-19-7)12(16)15-11-6-8(20(14,17)18)2-3-10(11)13/h2-3,6-7,9H,4-5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyKQQLNRQFRVJOFR-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.84
Rot. Bonds3

About N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide

N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide (PubChem CID 79762826) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide
PubChem CID79762826
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC NameN-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C12H15FN2O4S/c1-7-9(4-5-19-7)12(16)15-11-6-8(20(14,17)18)2-3-10(11)13/h2-3,6-7,9H,4-5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyKQQLNRQFRVJOFR-UHFFFAOYSA-N
XLogP0.84
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79751128
N-(2-fluoro-5-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107182876
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
N-(2-fluoro-5-sulfamoylphenyl)cyclopentanecarboxamide
CID 61129788
N-(2-fluoro-5-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
CID 62803145
N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide
CID 81434051
N-(2-fluoro-5-sulfamoylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476009
N-(2-amino-4-methylphenyl)-2-methyloxolane-3-carboxamide
CID 79750828
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 61129967
2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride
CID 79759048
1-cyclobutyl-3-(2-fluoro-5-sulfamoylphenyl)urea
CID 116658850
N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61129999

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide (CID 79762826) is N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)Nc1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide?
The InChIKey is KQQLNRQFRVJOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-7-9(4-5-19-7)12(16)15-11-6-8(20(14,17)18)2-3-10(11)13/h2-3,6-7,9H,4-5H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide?
N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79762826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).