2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide

C22H17F2N3O3S — CID 118169123

IUPAC2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
SMILESO=C1Nc2c(-c3cccnc3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2
InChIInChI=1S/C22H17F2N3O3S/c23-14-4-5-19(18(24)9-14)31(29,30)27-15-10-16(13-3-1-8-25-12-13)20-17(11-15)22(6-2-7-22)21(28)26-20/h1,3-5,8-12,27H,2,6-7H2,(H,26,28)
InChIKeyXCUWSDZDXSDKDB-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.20
Rot. Bonds4

About 2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide

2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide (PubChem CID 118169123) has the molecular formula C22H17F2N3O3S and a molecular weight of 441.46 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
PubChem CID118169123
Molecular FormulaC22H17F2N3O3S
Molecular Weight441.46 g/mol
Exact Mass441.10
IUPAC Name2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
SMILESO=C1Nc2c(-c3cccnc3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2
InChIInChI=1S/C22H17F2N3O3S/c23-14-4-5-19(18(24)9-14)31(29,30)27-15-10-16(13-3-1-8-25-12-13)20-17(11-15)22(6-2-7-22)21(28)26-20/h1,3-5,8-12,27H,2,6-7H2,(H,26,28)
InChIKeyXCUWSDZDXSDKDB-UHFFFAOYSA-N
XLogP4.20
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10385036, Example 34
CID 122443207
US10385036, Example 28
CID 122443252
US10385036, Example 35
CID 135334817
US10385036, Example 7
CID 122443179
US10385036, Example 10
CID 122443180
US10385036, Example 21
CID 122443183
US10385036, Example 12
CID 122443206
US10385036, Example 11
CID 122443228
US10385036, Example 5
CID 122443232
US10385036, Example 1
CID 122443233
US10385036, Example 14
CID 122443236
US10385036, Example 15
CID 122443237

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide (CID 118169123) is 2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide is O=C1Nc2c(-c3cccnc3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2.
What is the InChIKey of 2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The InChIKey is XCUWSDZDXSDKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3S/c23-14-4-5-19(18(24)9-14)31(29,30)27-15-10-16(13-3-1-8-25-12-13)20-17(11-15)22(6-2-7-22)21(28)26-20/h1,3-5,8-12,27H,2,6-7H2,(H,26,28).
What are the key properties of 2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide has a molecular weight of 441.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-oxo-7-pyridin-3-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide is sourced from PubChem (CID 118169123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).