6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide

C19H20FN3O3S — CID 118169187

IUPAC6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(F)nc2)cc2c1NC(=O)C21CCC1
InChIInChI=1S/C19H20FN3O3S/c1-2-4-12-9-13(23-27(25,26)14-5-6-16(20)21-11-14)10-15-17(12)22-18(24)19(15)7-3-8-19/h5-6,9-11,23H,2-4,7-8H2,1H3,(H,22,24)
InChIKeyYUVVNBKIIMMTLD-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.35
Rot. Bonds5

About 6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide

6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide (PubChem CID 118169187) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide
PubChem CID118169187
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2ccc(F)nc2)cc2c1NC(=O)C21CCC1
InChIInChI=1S/C19H20FN3O3S/c1-2-4-12-9-13(23-27(25,26)14-5-6-16(20)21-11-14)10-15-17(12)22-18(24)19(15)7-3-8-19/h5-6,9-11,23H,2-4,7-8H2,1H3,(H,22,24)
InChIKeyYUVVNBKIIMMTLD-UHFFFAOYSA-N
XLogP3.35
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide with MolForge

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Related Compounds

US10385036, Example 34
CID 122443207
US10385036, Example 28
CID 122443252
US10385036, Example 7
CID 122443179
US10385036, Example 10
CID 122443180
US10385036, Example 12
CID 122443206
US10385036, Example 11
CID 122443228
US10385036, Example 1
CID 122443233
US10385036, Example 14
CID 122443236
US10385036, Example 2
CID 122443250
US10385036, Example 31
CID 135334833
US10385036, Example 17
CID 139417771
N-(1-methyl-2-oxobenzo[cd]indol-6-yl)pyridine-3-sulfonamide
CID 155564647

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide (CID 118169187) is 6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide is CCCc1cc(NS(=O)(=O)c2ccc(F)nc2)cc2c1NC(=O)C21CCC1.
What is the InChIKey of 6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide?
The InChIKey is YUVVNBKIIMMTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-2-4-12-9-13(23-27(25,26)14-5-6-16(20)21-11-14)10-15-17(12)22-18(24)19(15)7-3-8-19/h5-6,9-11,23H,2-4,7-8H2,1H3,(H,22,24).
What are the key properties of 6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide?
6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-oxo-7-propylspiro[1H-indole-3,1'-cyclobutane]-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 118169187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).