4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide

C12H15FN2O3S — CID 115590000

IUPAC4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
SMILESCC1CC1CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H15FN2O3S/c1-7-4-9(7)6-15-12(16)8-2-3-10(13)11(5-8)19(14,17)18/h2-3,5,7,9H,4,6H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyQWKKFQHMGZEDHI-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.86
Rot. Bonds4

About 4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide

4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide (PubChem CID 115590000) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
PubChem CID115590000
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
SMILESCC1CC1CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H15FN2O3S/c1-7-4-9(7)6-15-12(16)8-2-3-10(13)11(5-8)19(14,17)18/h2-3,5,7,9H,4,6H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyQWKKFQHMGZEDHI-UHFFFAOYSA-N
XLogP0.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-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

4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide
CID 107421023
3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide
CID 103706830
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
CID 61217199
4-fluoro-N-(3-methylsulfinylbutyl)-3-sulfamoylbenzamide
CID 115729437
2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide
CID 107035038
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-sulfamoylbenzamide
CID 115880589
4-fluoro-N-(2-fluorophenyl)-3-sulfamoylbenzamide
CID 38765202
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65373308
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-methylsulfonylbenzamide;hydrochloride
CID 129051547
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide (CID 115590000) is 4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide is CC1CC1CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The InChIKey is QWKKFQHMGZEDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c1-7-4-9(7)6-15-12(16)8-2-3-10(13)11(5-8)19(14,17)18/h2-3,5,7,9H,4,6H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide?
4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 115590000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).