N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide

C12H15FN2O4S — CID 81434051

IUPACN-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H15FN2O4S/c1-7-4-5-19-11(7)12(16)15-10-3-2-8(6-9(10)13)20(14,17)18/h2-3,6-7,11H,4-5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyBOOGJEDTDANOEK-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.84
Rot. Bonds3

About N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide

N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide (PubChem CID 81434051) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide
PubChem CID81434051
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC NameN-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H15FN2O4S/c1-7-4-5-19-11(7)12(16)15-10-3-2-8(6-9(10)13)20(14,17)18/h2-3,6-7,11H,4-5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyBOOGJEDTDANOEK-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

3-methyl-N-(3-sulfamoylphenyl)oxolane-2-carboxamide
CID 81424664
N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide
CID 103842465
N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide
CID 79762826
N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
CID 81426078
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 81425700
N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
CID 75503564
N-(2-fluoro-5-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107182876
N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 63297241
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methyloxolane-2-carboxamide
CID 119042556
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
N-(2-fluoro-5-sulfamoylphenyl)-1,4-dioxane-2-carboxamide
CID 62803145
N-(2-fluoro-5-sulfamoylphenyl)cyclopentanecarboxamide
CID 61129788

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide (CID 81434051) is N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide?
The InChIKey is BOOGJEDTDANOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-7-4-5-19-11(7)12(16)15-10-3-2-8(6-9(10)13)20(14,17)18/h2-3,6-7,11H,4-5H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide?
N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-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-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 81434051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).