2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid

C14H14FN3O4S — CID 166909297

IUPAC2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid
SMILESCNc1cnc(OC)c(NS(=O)c2ccc(F)c(C(=O)O)c2)c1
InChIInChI=1S/C14H14FN3O4S/c1-16-8-5-12(13(22-2)17-7-8)18-23(21)9-3-4-11(15)10(6-9)14(19)20/h3-7,16,18H,1-2H3,(H,19,20)
InChIKeyMSOHQXKEKXHWSS-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.10
Rot. Bonds6

About 2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid

2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid (PubChem CID 166909297) has the molecular formula C14H14FN3O4S and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid
PubChem CID166909297
Molecular FormulaC14H14FN3O4S
Molecular Weight339.35 g/mol
Exact Mass339.07
IUPAC Name2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid
SMILESCNc1cnc(OC)c(NS(=O)c2ccc(F)c(C(=O)O)c2)c1
InChIInChI=1S/C14H14FN3O4S/c1-16-8-5-12(13(22-2)17-7-8)18-23(21)9-3-4-11(15)10(6-9)14(19)20/h3-7,16,18H,1-2H3,(H,19,20)
InChIKeyMSOHQXKEKXHWSS-UHFFFAOYSA-N
XLogP2.10
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid with MolForge

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Launch Full Analysis

Related Compounds

5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid
CID 166909251
3-[[2-methoxy-5-(2-methylbutan-2-yl)-3-pyridinyl]sulfinamoyl]benzoic acid
CID 166909074
4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]sulfinylamino]-2,5-difluorobenzoic acid
CID 155312129
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
5-[[3-fluoro-4-(methylamino)phenyl]sulfinylamino]-1,3-thiazole-4-carboxylic acid
CID 137436838
2-fluoro-5-(2-methoxypyrimidin-5-yl)benzoic acid
CID 112747590
2-fluoro-5-(2-methoxyanilino)benzoic acid
CID 82537069
5-[1-(dimethylamino)-1-oxopropan-2-yl]sulfinyl-2-fluorobenzoic acid
CID 113371889
4-[[4-(2-ethylbutanoylamino)phenyl]sulfinylamino]-2,5-difluorobenzoic acid
CID 155312017
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
2-fluoro-5-(4-methylcyclohexyl)sulfinylbenzoic acid
CID 113371905

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid (CID 166909297) is 2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid is CNc1cnc(OC)c(NS(=O)c2ccc(F)c(C(=O)O)c2)c1.
What is the InChIKey of 2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid?
The InChIKey is MSOHQXKEKXHWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4S/c1-16-8-5-12(13(22-2)17-7-8)18-23(21)9-3-4-11(15)10(6-9)14(19)20/h3-7,16,18H,1-2H3,(H,19,20).
What are the key properties of 2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid?
2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid has a molecular weight of 339.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid is sourced from PubChem (CID 166909297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).