(2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one

C24H20FNO3S — CID 172635612

IUPAC(2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3[C@@]3(Cc4c(F)cccc4C3=O)[C@@H]2C)cc1
InChIInChI=1S/C24H20FNO3S/c1-15-10-12-17(13-11-15)30(28,29)26-16(2)24(20-7-3-4-9-22(20)26)14-19-18(23(24)27)6-5-8-21(19)25/h3-13,16H,14H2,1-2H3/t16-,24+/m0/s1
InChIKeyNIUSQSNWPLRELY-UPCLLVRISA-N
MW421.49 g/mol
LogP4.41
Rot. Bonds2

About (2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one

(2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one (PubChem CID 172635612) has the molecular formula C24H20FNO3S and a molecular weight of 421.49 g/mol. Its IUPAC name is (2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name(2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one
PubChem CID172635612
Molecular FormulaC24H20FNO3S
Molecular Weight421.49 g/mol
Exact Mass421.11
IUPAC Name(2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3[C@@]3(Cc4c(F)cccc4C3=O)[C@@H]2C)cc1
InChIInChI=1S/C24H20FNO3S/c1-15-10-12-17(13-11-15)30(28,29)26-16(2)24(20-7-3-4-9-22(20)26)14-19-18(23(24)27)6-5-8-21(19)25/h3-13,16H,14H2,1-2H3/t16-,24+/m0/s1
InChIKeyNIUSQSNWPLRELY-UPCLLVRISA-N
XLogP4.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 141508317
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CID 134960376
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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The IUPAC name of (2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one (CID 172635612) is (2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one.
What is the SMILES notation for (2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The canonical SMILES for (2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one is Cc1ccc(S(=O)(=O)N2c3ccccc3[C@@]3(Cc4c(F)cccc4C3=O)[C@@H]2C)cc1.
What is the InChIKey of (2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The InChIKey is NIUSQSNWPLRELY-UPCLLVRISA-N. The full InChI is InChI=1S/C24H20FNO3S/c1-15-10-12-17(13-11-15)30(28,29)26-16(2)24(20-7-3-4-9-22(20)26)14-19-18(23(24)27)6-5-8-21(19)25/h3-13,16H,14H2,1-2H3/t16-,24+/m0/s1.
What are the key properties of (2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one?
(2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one has a molecular weight of 421.49 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4'-fluoro-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one is sourced from PubChem (CID 172635612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).