methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate

C11H9ClN2O4S2 — CID 25041389

IUPACmethyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cccnc1Cl
InChIInChI=1S/C11H9ClN2O4S2/c1-18-11(15)9-8(4-6-19-9)20(16,17)14-7-3-2-5-13-10(7)12/h2-6,14H,1H3
InChIKeyKWHSHBVIJLKWAH-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.38
Rot. Bonds4

About methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 25041389) has the molecular formula C11H9ClN2O4S2 and a molecular weight of 332.79 g/mol. Its IUPAC name is methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID25041389
Molecular FormulaC11H9ClN2O4S2
Molecular Weight332.79 g/mol
Exact Mass331.97
IUPAC Namemethyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cccnc1Cl
InChIInChI=1S/C11H9ClN2O4S2/c1-18-11(15)9-8(4-6-19-9)20(16,17)14-7-3-2-5-13-10(7)12/h2-6,14H,1H3
InChIKeyKWHSHBVIJLKWAH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 24621397
methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 65427405
3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79042040
dimethyl 5-[(2-chloro-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate
CID 18287797
methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate
CID 61394313
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 24563164
methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate
CID 43047412
methyl 3-[(3-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 24602965
methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 60534296

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate (CID 25041389) is methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1cccnc1Cl.
What is the InChIKey of methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is KWHSHBVIJLKWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4S2/c1-18-11(15)9-8(4-6-19-9)20(16,17)14-7-3-2-5-13-10(7)12/h2-6,14H,1H3.
What are the key properties of methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]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 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 25041389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).