methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate

C11H11N3O4S2 — CID 65427405

IUPACmethyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1cccnc1N
InChIInChI=1S/C11H11N3O4S2/c1-18-11(15)9-7(4-6-19-9)14-20(16,17)8-3-2-5-13-10(8)12/h2-6,14H,1H3,(H2,12,13)
InChIKeySSJTUIRNKMWZAT-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.31
Rot. Bonds4

About methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate

methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 65427405) has the molecular formula C11H11N3O4S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
PubChem CID65427405
Molecular FormulaC11H11N3O4S2
Molecular Weight313.36 g/mol
Exact Mass313.02
IUPAC Namemethyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1cccnc1N
InChIInChI=1S/C11H11N3O4S2/c1-18-11(15)9-7(4-6-19-9)14-20(16,17)8-3-2-5-13-10(8)12/h2-6,14H,1H3,(H2,12,13)
InChIKeySSJTUIRNKMWZAT-UHFFFAOYSA-N
XLogP1.31
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]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-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 43255563
2-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62148610
methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470
methyl 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 60779698
methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 38890684
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate (CID 65427405) is methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1cccnc1N.
What is the InChIKey of methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is SSJTUIRNKMWZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S2/c1-18-11(15)9-7(4-6-19-9)14-20(16,17)8-3-2-5-13-10(8)12/h2-6,14H,1H3,(H2,12,13).
What are the key properties of methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 65427405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).