N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide

C20H17N3O3S — CID 118169114

IUPACN-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide
SMILESO=C1Nc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2C12CCC2
InChIInChI=1S/C20H17N3O3S/c24-19-20(9-3-10-20)15-12-14(7-8-16(15)22-19)23-27(25,26)17-6-1-4-13-5-2-11-21-18(13)17/h1-2,4-8,11-12,23H,3,9-10H2,(H,22,24)
InChIKeyNZQURRFZEYHLAP-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.41
Rot. Bonds3

About N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide

N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide (PubChem CID 118169114) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide
PubChem CID118169114
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide
SMILESO=C1Nc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2C12CCC2
InChIInChI=1S/C20H17N3O3S/c24-19-20(9-3-10-20)15-12-14(7-8-16(15)22-19)23-27(25,26)17-6-1-4-13-5-2-11-21-18(13)17/h1-2,4-8,11-12,23H,3,9-10H2,(H,22,24)
InChIKeyNZQURRFZEYHLAP-UHFFFAOYSA-N
XLogP3.41
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide (CID 118169114) is N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide is O=C1Nc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2C12CCC2.
What is the InChIKey of N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide?
The InChIKey is NZQURRFZEYHLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-19-20(9-3-10-20)15-12-14(7-8-16(15)22-19)23-27(25,26)17-6-1-4-13-5-2-11-21-18(13)17/h1-2,4-8,11-12,23H,3,9-10H2,(H,22,24).
What are the key properties of N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide?
N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide has a molecular weight of 379.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 118169114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).