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

C20H17FN4O3S — CID 118169100

IUPAC4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
SMILESO=C1Nc2c(-n3cccn3)cc(NS(=O)(=O)c3ccc(F)cc3)cc2C12CCC2
InChIInChI=1S/C20H17FN4O3S/c21-13-3-5-15(6-4-13)29(27,28)24-14-11-16-18(17(12-14)25-10-2-9-22-25)23-19(26)20(16)7-1-8-20/h2-6,9-12,24H,1,7-8H2,(H,23,26)
InChIKeyDUZLQGDSBFZAEX-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.19
Rot. Bonds4

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

4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide (PubChem CID 118169100) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
PubChem CID118169100
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC Name4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
SMILESO=C1Nc2c(-n3cccn3)cc(NS(=O)(=O)c3ccc(F)cc3)cc2C12CCC2
InChIInChI=1S/C20H17FN4O3S/c21-13-3-5-15(6-4-13)29(27,28)24-14-11-16-18(17(12-14)25-10-2-9-22-25)23-19(26)20(16)7-1-8-20/h2-6,9-12,24H,1,7-8H2,(H,23,26)
InChIKeyDUZLQGDSBFZAEX-UHFFFAOYSA-N
XLogP3.19
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide (CID 118169100) is 4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide is O=C1Nc2c(-n3cccn3)cc(NS(=O)(=O)c3ccc(F)cc3)cc2C12CCC2.
What is the InChIKey of 4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The InChIKey is DUZLQGDSBFZAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c21-13-3-5-15(6-4-13)29(27,28)24-14-11-16-18(17(12-14)25-10-2-9-22-25)23-19(26)20(16)7-1-8-20/h2-6,9-12,24H,1,7-8H2,(H,23,26).
What are the key properties of 4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide has a molecular weight of 412.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-oxo-7-pyrazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide is sourced from PubChem (CID 118169100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).