5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide

C17H13N3O3S2 — CID 138566570

IUPAC5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cncc(-c2ccc(-c3ccc4c(c3)CNC4=O)s2)c1
InChIInChI=1S/C17H13N3O3S2/c18-25(22,23)13-6-12(7-19-9-13)16-4-3-15(24-16)10-1-2-14-11(5-10)8-20-17(14)21/h1-7,9H,8H2,(H,20,21)(H2,18,22,23)
InChIKeyWZKWBQICKFQHKD-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.37
Rot. Bonds3

About 5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide

5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide (PubChem CID 138566570) has the molecular formula C17H13N3O3S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide
PubChem CID138566570
Molecular FormulaC17H13N3O3S2
Molecular Weight371.44 g/mol
Exact Mass371.04
IUPAC Name5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cncc(-c2ccc(-c3ccc4c(c3)CNC4=O)s2)c1
InChIInChI=1S/C17H13N3O3S2/c18-25(22,23)13-6-12(7-19-9-13)16-4-3-15(24-16)10-1-2-14-11(5-10)8-20-17(14)21/h1-7,9H,8H2,(H,20,21)(H2,18,22,23)
InChIKeyWZKWBQICKFQHKD-UHFFFAOYSA-N
XLogP2.37
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide (CID 138566570) is 5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1cncc(-c2ccc(-c3ccc4c(c3)CNC4=O)s2)c1.
What is the InChIKey of 5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide?
The InChIKey is WZKWBQICKFQHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S2/c18-25(22,23)13-6-12(7-19-9-13)16-4-3-15(24-16)10-1-2-14-11(5-10)8-20-17(14)21/h1-7,9H,8H2,(H,20,21)(H2,18,22,23).
What are the key properties of 5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide?
5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide has a molecular weight of 371.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 138566570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).