2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid

C12H17FN2O4S — CID 154740202

IUPAC2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid
SMILESCCCN(C)S(=O)(=O)Nc1cc(C)cc(F)c1C(=O)O
InChIInChI=1S/C12H17FN2O4S/c1-4-5-15(3)20(18,19)14-10-7-8(2)6-9(13)11(10)12(16)17/h6-7,14H,4-5H2,1-3H3,(H,16,17)
InChIKeyCHAIKCDTIFCASI-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.83
Rot. Bonds6

About 2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid

2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid (PubChem CID 154740202) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid
PubChem CID154740202
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid
SMILESCCCN(C)S(=O)(=O)Nc1cc(C)cc(F)c1C(=O)O
InChIInChI=1S/C12H17FN2O4S/c1-4-5-15(3)20(18,19)14-10-7-8(2)6-9(13)11(10)12(16)17/h6-7,14H,4-5H2,1-3H3,(H,16,17)
InChIKeyCHAIKCDTIFCASI-UHFFFAOYSA-N
XLogP1.83
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]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

2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263
3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid
CID 67052501
3-[[butyl(methyl)sulfamoyl]amino]-4-methylbenzoic acid
CID 43351250
CID 172569700
CID 172569700
2-fluoro-4-methyl-6-methylsulfonylbenzoic acid
CID 118231631
3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid
CID 43443054
methyl 3-[(3-fluoro-5-methylphenyl)sulfamoyl-methylamino]propanoate
CID 79054852
3-[[butyl(methyl)sulfamoyl]amino]-4-methoxybenzoic acid
CID 63742420
2-bromo-6-fluoro-4-methylbenzoic acid
CID 119019979
2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid
CID 62535155
1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene
CID 106031029
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid (CID 154740202) is 2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid is CCCN(C)S(=O)(=O)Nc1cc(C)cc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid?
The InChIKey is CHAIKCDTIFCASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-4-5-15(3)20(18,19)14-10-7-8(2)6-9(13)11(10)12(16)17/h6-7,14H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid?
2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid has a molecular weight of 304.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-6-[[methyl(propyl)sulfamoyl]amino]benzoic acid is sourced from PubChem (CID 154740202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).