2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid

C13H16FNO6S — CID 167886681

IUPAC2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid
SMILESCOCC1(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2OC)CC1
InChIInChI=1S/C13H16FNO6S/c1-20-7-13(3-4-13)22(18,19)15-10-6-9(14)8(12(16)17)5-11(10)21-2/h5-6,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyABNPEJGQUVHAEE-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.45
Rot. Bonds7

About 2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid

2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid (PubChem CID 167886681) has the molecular formula C13H16FNO6S and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid
PubChem CID167886681
Molecular FormulaC13H16FNO6S
Molecular Weight333.34 g/mol
Exact Mass333.07
IUPAC Name2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid
SMILESCOCC1(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2OC)CC1
InChIInChI=1S/C13H16FNO6S/c1-20-7-13(3-4-13)22(18,19)15-10-6-9(14)8(12(16)17)5-11(10)21-2/h5-6,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyABNPEJGQUVHAEE-UHFFFAOYSA-N
XLogP1.45
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]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

2,4-difluoro-5-methoxybenzoic acid
CID 117280967
2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 166292995
4-[[2-[4-(4,4-dimethylcyclohexyl)-2-(fluoromethyl)phenyl]-1,3-thiazol-4-yl]sulfonylamino]-2-fluoro-5-methoxybenzoic acid
CID 168726427
2-fluoro-5-methoxy-4-[[2-(4-spiro[3.5]nonan-7-ylphenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 168726330
4-[[2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-1,3-oxazol-4-yl]sulfonylamino]-2-fluoro-5-methoxybenzoic acid
CID 168726344
4-[[2-[4-(4,4-dimethylcyclohexen-1-yl)-2-fluorophenyl]-1,3-thiazol-4-yl]sulfonylamino]-2-fluoro-5-methoxybenzoic acid
CID 168726443
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
CID 22145848
5-amino-2-fluoro-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 113394224
4-[[1-(4-cyclohexylphenyl)pyrazol-4-yl]sulfonylamino]-2-fluoro-5-methoxybenzoic acid
CID 168726532
4-[[2-[4-(4-ethylcyclohexyl)phenyl]-1,3-oxazol-4-yl]sulfonylamino]-2-fluoro-5-methoxybenzoic acid
CID 167475507
2-fluoro-5-methoxy-4-[[2-[2-(4-methylphenyl)ethynyl]-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 168726537
5-amino-4-[(2,2-dimethylcyclopropyl)amino]-2-fluorobenzoic acid
CID 113394253

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid?
The IUPAC name of 2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid (CID 167886681) is 2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid?
The canonical SMILES for 2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid is COCC1(S(=O)(=O)Nc2cc(F)c(C(=O)O)cc2OC)CC1.
What is the InChIKey of 2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid?
The InChIKey is ABNPEJGQUVHAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO6S/c1-20-7-13(3-4-13)22(18,19)15-10-6-9(14)8(12(16)17)5-11(10)21-2/h5-6,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid?
2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid has a molecular weight of 333.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 167886681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).