3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione

C20H17NO5S — CID 175653589

IUPAC3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione
SMILESCC1=C(C)C2(OC1=O)C(=O)N(S(=O)(=O)c1ccc(C)cc1)c1ccccc12
InChIInChI=1S/C20H17NO5S/c1-12-8-10-15(11-9-12)27(24,25)21-17-7-5-4-6-16(17)20(19(21)23)14(3)13(2)18(22)26-20/h4-11H,1-3H3
InChIKeyWFBLJYUPIBPPTE-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.82
Rot. Bonds2

About 3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione

3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione (PubChem CID 175653589) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione.

Molecular Properties

Compound Name3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione
PubChem CID175653589
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione
SMILESCC1=C(C)C2(OC1=O)C(=O)N(S(=O)(=O)c1ccc(C)cc1)c1ccccc12
InChIInChI=1S/C20H17NO5S/c1-12-8-10-15(11-9-12)27(24,25)21-17-7-5-4-6-16(17)20(19(21)23)14(3)13(2)18(22)26-20/h4-11H,1-3H3
InChIKeyWFBLJYUPIBPPTE-UHFFFAOYSA-N
XLogP2.82
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione?
The IUPAC name of 3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione (CID 175653589) is 3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione.
What is the SMILES notation for 3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione?
The canonical SMILES for 3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione is CC1=C(C)C2(OC1=O)C(=O)N(S(=O)(=O)c1ccc(C)cc1)c1ccccc12.
What is the InChIKey of 3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione?
The InChIKey is WFBLJYUPIBPPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c1-12-8-10-15(11-9-12)27(24,25)21-17-7-5-4-6-16(17)20(19(21)23)14(3)13(2)18(22)26-20/h4-11H,1-3H3.
What are the key properties of 3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione?
3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione has a molecular weight of 383.43 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1'-(4-methylphenyl)sulfonylspiro[furan-5,3'-indole]-2,2'-dione is sourced from PubChem (CID 175653589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).