5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid

C13H14N2O4S2 — CID 82732518

IUPAC5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid
SMILESCCc1cccnc1CNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C13H14N2O4S2/c1-2-9-4-3-5-14-11(9)7-15-21(18,19)12-6-10(8-20-12)13(16)17/h3-6,8,15H,2,7H2,1H3,(H,16,17)
InChIKeyMEYOKKNCHNIZPY-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.88
Rot. Bonds6

About 5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid

5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid (PubChem CID 82732518) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid
PubChem CID82732518
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid
SMILESCCc1cccnc1CNS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C13H14N2O4S2/c1-2-9-4-3-5-14-11(9)7-15-21(18,19)12-6-10(8-20-12)13(16)17/h3-6,8,15H,2,7H2,1H3,(H,16,17)
InChIKeyMEYOKKNCHNIZPY-UHFFFAOYSA-N
XLogP1.88
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid (CID 82732518) is 5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid is CCc1cccnc1CNS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is MEYOKKNCHNIZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-2-9-4-3-5-14-11(9)7-15-21(18,19)12-6-10(8-20-12)13(16)17/h3-6,8,15H,2,7H2,1H3,(H,16,17).
What are the key properties of 5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid?
5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 82732518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).