6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

C16H14N2O6S2 — CID 138512741

IUPAC6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCS(=O)(=O)Nc1ccc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)cc1
InChIInChI=1S/C16H14N2O6S2/c1-26(23,24)17-10-4-2-9(3-5-10)8-18-11-6-7-25-14(11)12(16(21)22)13(19)15(18)20/h2-7,17,19H,8H2,1H3,(H,21,22)
InChIKeyZVAGOYOZUQJXSD-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.89
Rot. Bonds5

About 6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512741) has the molecular formula C16H14N2O6S2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512741
Molecular FormulaC16H14N2O6S2
Molecular Weight394.43 g/mol
Exact Mass394.03
IUPAC Name6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCS(=O)(=O)Nc1ccc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)cc1
InChIInChI=1S/C16H14N2O6S2/c1-26(23,24)17-10-4-2-9(3-5-10)8-18-11-6-7-25-14(11)12(16(21)22)13(19)15(18)20/h2-7,17,19H,8H2,1H3,(H,21,22)
InChIKeyZVAGOYOZUQJXSD-UHFFFAOYSA-N
XLogP1.89
TPSA125.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512741) is 6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is CS(=O)(=O)Nc1ccc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)cc1.
What is the InChIKey of 6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is ZVAGOYOZUQJXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S2/c1-26(23,24)17-10-4-2-9(3-5-10)8-18-11-6-7-25-14(11)12(16(21)22)13(19)15(18)20/h2-7,17,19H,8H2,1H3,(H,21,22).
What are the key properties of 6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 394.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[[4-(methanesulfonamido)phenyl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).