5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid

C13H18FNO5S — CID 154743988

IUPAC5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid
SMILESCOC(CS(=O)(=O)Nc1ccc(F)cc1C(=O)O)C(C)C
InChIInChI=1S/C13H18FNO5S/c1-8(2)12(20-3)7-21(18,19)15-11-5-4-9(14)6-10(11)13(16)17/h4-6,8,12,15H,7H2,1-3H3,(H,16,17)
InChIKeyBYQFYCNWNCJKTJ-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.94
Rot. Bonds7

About 5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid

5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid (PubChem CID 154743988) has the molecular formula C13H18FNO5S and a molecular weight of 319.35 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid
PubChem CID154743988
Molecular FormulaC13H18FNO5S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC Name5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid
SMILESCOC(CS(=O)(=O)Nc1ccc(F)cc1C(=O)O)C(C)C
InChIInChI=1S/C13H18FNO5S/c1-8(2)12(20-3)7-21(18,19)15-11-5-4-9(14)6-10(11)13(16)17/h4-6,8,12,15H,7H2,1-3H3,(H,16,17)
InChIKeyBYQFYCNWNCJKTJ-UHFFFAOYSA-N
XLogP1.94
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]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

5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 54530763
methyl 2-[(3-chloro-2-methylpropyl)sulfonylamino]-5-fluorobenzoate
CID 79585945
5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814357
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814358
5-methyl-2-(2-methylpropylsulfonylamino)benzoic acid
CID 62999145
5-fluoro-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104765923
5-fluoro-2-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide
CID 82015535
5-fluoro-2-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 61185797
5-fluoro-2-(4-methylpentanoylamino)benzoic acid
CID 28544126
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263
2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269364
5-fluoro-2-(4-methylpentylamino)benzoic acid
CID 63672827

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid (CID 154743988) is 5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid is COC(CS(=O)(=O)Nc1ccc(F)cc1C(=O)O)C(C)C.
What is the InChIKey of 5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid?
The InChIKey is BYQFYCNWNCJKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO5S/c1-8(2)12(20-3)7-21(18,19)15-11-5-4-9(14)6-10(11)13(16)17/h4-6,8,12,15H,7H2,1-3H3,(H,16,17).
What are the key properties of 5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid?
5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid has a molecular weight of 319.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methoxy-3-methylbutyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 154743988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).