N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide

C20H21N3O3S — CID 135124467

IUPACN-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide
SMILESO=C1Nc2c(C3CC3)cc(NS(=O)(=O)c3ccccn3)cc2C12CCCC2
InChIInChI=1S/C20H21N3O3S/c24-19-20(8-2-3-9-20)16-12-14(11-15(13-6-7-13)18(16)22-19)23-27(25,26)17-5-1-4-10-21-17/h1,4-5,10-13,23H,2-3,6-9H2,(H,22,24)
InChIKeyKTYBQTOASDZKBP-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.52
Rot. Bonds4

About N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide

N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide (PubChem CID 135124467) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide
PubChem CID135124467
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide
SMILESO=C1Nc2c(C3CC3)cc(NS(=O)(=O)c3ccccn3)cc2C12CCCC2
InChIInChI=1S/C20H21N3O3S/c24-19-20(8-2-3-9-20)16-12-14(11-15(13-6-7-13)18(16)22-19)23-27(25,26)17-5-1-4-10-21-17/h1,4-5,10-13,23H,2-3,6-9H2,(H,22,24)
InChIKeyKTYBQTOASDZKBP-UHFFFAOYSA-N
XLogP3.52
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide?
The IUPAC name of N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide (CID 135124467) is N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide is O=C1Nc2c(C3CC3)cc(NS(=O)(=O)c3ccccn3)cc2C12CCCC2.
What is the InChIKey of N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide?
The InChIKey is KTYBQTOASDZKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-19-20(8-2-3-9-20)16-12-14(11-15(13-6-7-13)18(16)22-19)23-27(25,26)17-5-1-4-10-21-17/h1,4-5,10-13,23H,2-3,6-9H2,(H,22,24).
What are the key properties of N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide?
N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 135124467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).