3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid

C12H12N2O4S2 — CID 61059093

IUPAC3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cccc(CNS(=O)(=O)c2ccsc2C(=O)O)n1
InChIInChI=1S/C12H12N2O4S2/c1-8-3-2-4-9(14-8)7-13-20(17,18)10-5-6-19-11(10)12(15)16/h2-6,13H,7H2,1H3,(H,15,16)
InChIKeyZCAYDUUZBQLHED-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.63
Rot. Bonds5

About 3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid

3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61059093) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61059093
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cccc(CNS(=O)(=O)c2ccsc2C(=O)O)n1
InChIInChI=1S/C12H12N2O4S2/c1-8-3-2-4-9(14-8)7-13-20(17,18)10-5-6-19-11(10)12(15)16/h2-6,13H,7H2,1H3,(H,15,16)
InChIKeyZCAYDUUZBQLHED-UHFFFAOYSA-N
XLogP1.63
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 61059093) is 3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid is Cc1cccc(CNS(=O)(=O)c2ccsc2C(=O)O)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ZCAYDUUZBQLHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-8-3-2-4-9(14-8)7-13-20(17,18)10-5-6-19-11(10)12(15)16/h2-6,13H,7H2,1H3,(H,15,16).
What are the key properties of 3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid?
3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61059093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).