4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid

C10H7ClN2O4S2 — CID 27243480

IUPAC4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cn2)cs1
InChIInChI=1S/C10H7ClN2O4S2/c11-6-1-2-9(12-4-6)13-19(16,17)7-3-8(10(14)15)18-5-7/h1-5H,(H,12,13)(H,14,15)
InChIKeyJFELGKLMOJIFEJ-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.30
Rot. Bonds4

About 4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid

4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 27243480) has the molecular formula C10H7ClN2O4S2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID27243480
Molecular FormulaC10H7ClN2O4S2
Molecular Weight318.76 g/mol
Exact Mass317.95
IUPAC Name4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cn2)cs1
InChIInChI=1S/C10H7ClN2O4S2/c11-6-1-2-9(12-4-6)13-19(16,17)7-3-8(10(14)15)18-5-7/h1-5H,(H,12,13)(H,14,15)
InChIKeyJFELGKLMOJIFEJ-UHFFFAOYSA-N
XLogP2.30
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (CID 27243480) is 4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cn2)cs1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is JFELGKLMOJIFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4S2/c11-6-1-2-9(12-4-6)13-19(16,17)7-3-8(10(14)15)18-5-7/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 318.76 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 27243480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).