1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one

C23H23ClN4O5S2 — CID 86294043

About 1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one

1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (PubChem CID 86294043) has the molecular formula C23H23ClN4O5S2 and a molecular weight of 535.05 g/mol. Its IUPAC name is 1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.

Molecular Properties

• Compound Name: 1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
• PubChem CID: 86294043
• Molecular Formula: C23H23ClN4O5S2
• Molecular Weight: 535.05 g/mol
• Exact Mass: 534.08
• IUPAC Name: 1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
• SMILES: O=C1N(Cc2cc3cc(Cl)ccc3n2CCS(=O)(=O)N2CCCS2(=O)=O)c2cnccc2C12CC2
• InChI: InChI=1S/C23H23ClN4O5S2/c24-17-2-3-20-16(12-17)13-18(26(20)9-11-35(32,33)28-8-1-10-34(28,30)31)15-27-21-14-25-7-4-19(21)23(5-6-23)22(27)29/h2-4,7,12-14H,1,5-6,8-11,15H2
• InChIKey: UKIXJTSVGRQYDB-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 109.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.05
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?

The IUPAC name of 1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (CID 86294043) is 1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.

What is the SMILES notation for 1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?

The canonical SMILES for 1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is O=C1N(Cc2cc3cc(Cl)ccc3n2CCS(=O)(=O)N2CCCS2(=O)=O)c2cnccc2C12CC2.

What is the InChIKey of 1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?

The InChIKey is UKIXJTSVGRQYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O5S2/c24-17-2-3-20-16(12-17)13-18(26(20)9-11-35(32,33)28-8-1-10-34(28,30)31)15-27-21-14-25-7-4-19(21)23(5-6-23)22(27)29/h2-4,7,12-14H,1,5-6,8-11,15H2.

What are the key properties of 1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?

1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one has a molecular weight of 535.05 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[[5-chloro-1-[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)sulfonyl]ethyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is sourced from PubChem (CID 86294043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).