2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide

C12H15FN2O4S — CID 82749561

IUPAC2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide
SMILESCN(C(=O)c1ccc(S(N)(=O)=O)cc1F)C1CCOC1
InChIInChI=1S/C12H15FN2O4S/c1-15(8-4-5-19-7-8)12(16)10-3-2-9(6-11(10)13)20(14,17)18/h2-3,6,8H,4-5,7H2,1H3,(H2,14,17,18)
InChIKeyXFSIPDQQOSVDHG-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.33
Rot. Bonds3

About 2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide

2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide (PubChem CID 82749561) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide
PubChem CID82749561
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide
SMILESCN(C(=O)c1ccc(S(N)(=O)=O)cc1F)C1CCOC1
InChIInChI=1S/C12H15FN2O4S/c1-15(8-4-5-19-7-8)12(16)10-3-2-9(6-11(10)13)20(14,17)18/h2-3,6,8H,4-5,7H2,1H3,(H2,14,17,18)
InChIKeyXFSIPDQQOSVDHG-UHFFFAOYSA-N
XLogP0.33
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-methyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82744457
2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 104929947
3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82749448
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
4-bromo-3-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82744577
4,5-difluoro-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 78997229
4-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82749000
2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 82748225
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737720
4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947766
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide (CID 82749561) is 2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide is CN(C(=O)c1ccc(S(N)(=O)=O)cc1F)C1CCOC1.
What is the InChIKey of 2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide?
The InChIKey is XFSIPDQQOSVDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-15(8-4-5-19-7-8)12(16)10-3-2-9(6-11(10)13)20(14,17)18/h2-3,6,8H,4-5,7H2,1H3,(H2,14,17,18).
What are the key properties of 2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide?
2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide has a molecular weight of 302.33 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide is sourced from PubChem (CID 82749561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).