methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate

C11H9ClN2O4S2 — CID 28748643

IUPACmethyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C11H9ClN2O4S2/c1-18-11(15)10-8(6-9(12)19-10)20(16,17)14-7-2-4-13-5-3-7/h2-6H,1H3,(H,13,14)
InChIKeyVPQSQCLJOAMOSL-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.38
Rot. Bonds4

About methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate

methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate (PubChem CID 28748643) has the molecular formula C11H9ClN2O4S2 and a molecular weight of 332.79 g/mol. Its IUPAC name is methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate
PubChem CID28748643
Molecular FormulaC11H9ClN2O4S2
Molecular Weight332.79 g/mol
Exact Mass331.97
IUPAC Namemethyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C11H9ClN2O4S2/c1-18-11(15)10-8(6-9(12)19-10)20(16,17)14-7-2-4-13-5-3-7/h2-6H,1H3,(H,13,14)
InChIKeyVPQSQCLJOAMOSL-UHFFFAOYSA-N
XLogP2.38
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate (CID 28748643) is methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1ccncc1.
What is the InChIKey of methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is VPQSQCLJOAMOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4S2/c1-18-11(15)10-8(6-9(12)19-10)20(16,17)14-7-2-4-13-5-3-7/h2-6H,1H3,(H,13,14).
What are the key properties of methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate?
methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 332.79 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 28748643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).