2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide

C13H15N3O2S2 — CID 62844973

IUPAC2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide
SMILESNc1ncccc1S(=O)(=O)NC1CCCc2sccc21
InChIInChI=1S/C13H15N3O2S2/c14-13-12(5-2-7-15-13)20(17,18)16-10-3-1-4-11-9(10)6-8-19-11/h2,5-8,10,16H,1,3-4H2,(H2,14,15)
InChIKeyOYINQPUFCIUUCK-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.08
Rot. Bonds3

About 2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide

2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide (PubChem CID 62844973) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide
PubChem CID62844973
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide
SMILESNc1ncccc1S(=O)(=O)NC1CCCc2sccc21
InChIInChI=1S/C13H15N3O2S2/c14-13-12(5-2-7-15-13)20(17,18)16-10-3-1-4-11-9(10)6-8-19-11/h2,5-8,10,16H,1,3-4H2,(H2,14,15)
InChIKeyOYINQPUFCIUUCK-UHFFFAOYSA-N
XLogP2.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide 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

2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 81241971
2-cyano-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62844933
4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62840437
6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide
CID 62844946
5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62843215
4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 115330040
2-amino-N-(4-hydroxycyclohexyl)pyridine-3-sulfonamide
CID 62150570
2-chloro-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazole-5-sulfonamide
CID 62844035
2-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62148610
2-amino-N-(1,1-dioxothian-4-yl)pyridine-3-sulfonamide
CID 62146133
4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butane-1-sulfonamide
CID 114141023
2-amino-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63663044

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide (CID 62844973) is 2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide is Nc1ncccc1S(=O)(=O)NC1CCCc2sccc21.
What is the InChIKey of 2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide?
The InChIKey is OYINQPUFCIUUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c14-13-12(5-2-7-15-13)20(17,18)16-10-3-1-4-11-9(10)6-8-19-11/h2,5-8,10,16H,1,3-4H2,(H2,14,15).
What are the key properties of 2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide?
2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide has a molecular weight of 309.42 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 62844973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).