5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid

C14H15N3O5S — CID 166909251

IUPAC5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)Nc2cc(N)cnc2OC)cc1C(=O)O
InChIInChI=1S/C14H15N3O5S/c1-21-12-4-3-9(6-10(12)14(18)19)23(20)17-11-5-8(15)7-16-13(11)22-2/h3-7,17H,15H2,1-2H3,(H,18,19)
InChIKeyAULZPTAIKNBBKR-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.51
Rot. Bonds6

About 5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid

5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid (PubChem CID 166909251) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid
PubChem CID166909251
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)Nc2cc(N)cnc2OC)cc1C(=O)O
InChIInChI=1S/C14H15N3O5S/c1-21-12-4-3-9(6-10(12)14(18)19)23(20)17-11-5-8(15)7-16-13(11)22-2/h3-7,17H,15H2,1-2H3,(H,18,19)
InChIKeyAULZPTAIKNBBKR-UHFFFAOYSA-N
XLogP1.51
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-5-[[2-methoxy-5-(methylamino)-3-pyridinyl]sulfinamoyl]benzoic acid
CID 166909297
3-[[2-methoxy-5-(2-methylbutan-2-yl)-3-pyridinyl]sulfinamoyl]benzoic acid
CID 166909074
methyl 3-[(5-amino-2-methoxy-3-pyridinyl)amino]sulfanylbenzoate
CID 166907598
3-amino-4-methoxy-N-methylbenzenesulfinamide
CID 145216665
methyl 2-methoxy-5-methylsulfinylbenzoate
CID 18464431
4-methoxy-3-methoxycarbonylbenzenesulfinic acid
CID 165455471
3-carbamoyl-4-methoxybenzenesulfinic acid
CID 130538060
5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114047540
1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one
CID 174731306
methyl 3-(5-amino-2-methoxy-3-pyridinyl)-2,3-dihydroxypropanoate
CID 171864066
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780474

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid (CID 166909251) is 5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid is COc1ccc(S(=O)Nc2cc(N)cnc2OC)cc1C(=O)O.
What is the InChIKey of 5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid?
The InChIKey is AULZPTAIKNBBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-21-12-4-3-9(6-10(12)14(18)19)23(20)17-11-5-8(15)7-16-13(11)22-2/h3-7,17H,15H2,1-2H3,(H,18,19).
What are the key properties of 5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid?
5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid has a molecular weight of 337.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-2-methoxy-3-pyridinyl)sulfinamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 166909251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).