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

C24H21NO3S — CID 172635611

IUPAC(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3[C@@]3(Cc4ccccc4C3=O)[C@@H]2C)cc1
InChIInChI=1S/C24H21NO3S/c1-16-11-13-19(14-12-16)29(27,28)25-17(2)24(21-9-5-6-10-22(21)25)15-18-7-3-4-8-20(18)23(24)26/h3-14,17H,15H2,1-2H3/t17-,24+/m0/s1
InChIKeyWTRGKXOTSULWKQ-BXKMTCNYSA-N
MW403.50 g/mol
LogP4.27
Rot. Bonds2

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

(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one (PubChem CID 172635611) has the molecular formula C24H21NO3S and a molecular weight of 403.50 g/mol. Its IUPAC name is (2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one
PubChem CID172635611
Molecular FormulaC24H21NO3S
Molecular Weight403.50 g/mol
Exact Mass403.12
IUPAC Name(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3[C@@]3(Cc4ccccc4C3=O)[C@@H]2C)cc1
InChIInChI=1S/C24H21NO3S/c1-16-11-13-19(14-12-16)29(27,28)25-17(2)24(21-9-5-6-10-22(21)25)15-18-7-3-4-8-20(18)23(24)26/h3-14,17H,15H2,1-2H3/t17-,24+/m0/s1
InChIKeyWTRGKXOTSULWKQ-BXKMTCNYSA-N
XLogP4.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The IUPAC name of (2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one (CID 172635611) is (2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one.
What is the SMILES notation for (2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The canonical SMILES for (2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one is Cc1ccc(S(=O)(=O)N2c3ccccc3[C@@]3(Cc4ccccc4C3=O)[C@@H]2C)cc1.
What is the InChIKey of (2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one?
The InChIKey is WTRGKXOTSULWKQ-BXKMTCNYSA-N. The full InChI is InChI=1S/C24H21NO3S/c1-16-11-13-19(14-12-16)29(27,28)25-17(2)24(21-9-5-6-10-22(21)25)15-18-7-3-4-8-20(18)23(24)26/h3-14,17H,15H2,1-2H3/t17-,24+/m0/s1.
What are the key properties of (2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one?
(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one has a molecular weight of 403.50 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-1-(4-methylphenyl)sulfonylspiro[2H-indole-3,2'-3H-indene]-1'-one is sourced from PubChem (CID 172635611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).