4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide

C22H18N4O3S2 — CID 45113385

IUPAC4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=C1CSC(c2c[nH]c3ccccc23)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C22H18N4O3S2/c27-21-14-30-22(18-13-24-19-6-2-1-5-17(18)19)26(21)15-8-10-16(11-9-15)31(28,29)25-20-7-3-4-12-23-20/h1-13,22,24H,14H2,(H,23,25)
InChIKeyICJYRQHSQDWPGP-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.14
Rot. Bonds5

About 4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide

4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 45113385) has the molecular formula C22H18N4O3S2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID45113385
Molecular FormulaC22H18N4O3S2
Molecular Weight450.55 g/mol
Exact Mass450.08
IUPAC Name4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=C1CSC(c2c[nH]c3ccccc23)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C22H18N4O3S2/c27-21-14-30-22(18-13-24-19-6-2-1-5-17(18)19)26(21)15-8-10-16(11-9-15)31(28,29)25-20-7-3-4-12-23-20/h1-13,22,24H,14H2,(H,23,25)
InChIKeyICJYRQHSQDWPGP-UHFFFAOYSA-N
XLogP4.14
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide (CID 45113385) is 4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide is O=C1CSC(c2c[nH]c3ccccc23)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is ICJYRQHSQDWPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S2/c27-21-14-30-22(18-13-24-19-6-2-1-5-17(18)19)26(21)15-8-10-16(11-9-15)31(28,29)25-20-7-3-4-12-23-20/h1-13,22,24H,14H2,(H,23,25).
What are the key properties of 4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide?
4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 450.55 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 45113385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).