3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid

C11H15FN2O4S — CID 79187649

IUPAC3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid
SMILESCNCCN(C)S(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H15FN2O4S/c1-13-5-6-14(2)19(17,18)10-4-3-8(11(15)16)7-9(10)12/h3-4,7,13H,5-6H2,1-2H3,(H,15,16)
InChIKeySSCJPBXWKMYFIY-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.36
Rot. Bonds6

About 3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid

3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid (PubChem CID 79187649) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid
PubChem CID79187649
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid
SMILESCNCCN(C)S(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H15FN2O4S/c1-13-5-6-14(2)19(17,18)10-4-3-8(11(15)16)7-9(10)12/h3-4,7,13H,5-6H2,1-2H3,(H,15,16)
InChIKeySSCJPBXWKMYFIY-UHFFFAOYSA-N
XLogP0.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid 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-[2,2-dimethylpropyl(methyl)sulfamoyl]-3-fluorobenzoic acid
CID 79186791
3-fluoro-4-[furan-3-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 79177687
4-methyl-3-[methyl-[3-(methylamino)-3-oxopropyl]sulfamoyl]benzoic acid
CID 104654629
2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120718040
3,4-difluoro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 105112021
3-(dimethylsulfamoyl)-4-fluorobenzoic acid
CID 11118373
3-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid
CID 54876179
4-[1-cyclopropylethyl(methyl)sulfamoyl]-3-fluorobenzoic acid
CID 79187636
3-[2-cyanoethyl(methyl)sulfamoyl]-4,5-difluorobenzoic acid
CID 105111550
3-(dimethylaminosulfamoyl)-4-fluorobenzoic acid
CID 83005612
3-[2-(dimethylamino)ethyl-methylsulfamoyl]-4-ethylbenzoic acid
CID 63694476
4-chloro-3-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271122

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid (CID 79187649) is 3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid is CNCCN(C)S(=O)(=O)c1ccc(C(=O)O)cc1F.
What is the InChIKey of 3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid?
The InChIKey is SSCJPBXWKMYFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-13-5-6-14(2)19(17,18)10-4-3-8(11(15)16)7-9(10)12/h3-4,7,13H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid?
3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 79187649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).