1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one

C17H14FNO5S — CID 3732757

IUPAC1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)C1(OCCO1)C(=O)N2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H14FNO5S/c1-11-2-7-15-14(10-11)17(23-8-9-24-17)16(20)19(15)25(21,22)13-5-3-12(18)4-6-13/h2-7,10H,8-9H2,1H3
InChIKeyOHTXRHIQQWMTOM-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.07
Rot. Bonds2

About 1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 3732757) has the molecular formula C17H14FNO5S and a molecular weight of 363.37 g/mol. Its IUPAC name is 1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID3732757
Molecular FormulaC17H14FNO5S
Molecular Weight363.37 g/mol
Exact Mass363.06
IUPAC Name1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)C1(OCCO1)C(=O)N2S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H14FNO5S/c1-11-2-7-15-14(10-11)17(23-8-9-24-17)16(20)19(15)25(21,22)13-5-3-12(18)4-6-13/h2-7,10H,8-9H2,1H3
InChIKeyOHTXRHIQQWMTOM-UHFFFAOYSA-N
XLogP2.07
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 3732757) is 1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one is Cc1ccc2c(c1)C1(OCCO1)C(=O)N2S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is OHTXRHIQQWMTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO5S/c1-11-2-7-15-14(10-11)17(23-8-9-24-17)16(20)19(15)25(21,22)13-5-3-12(18)4-6-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 363.37 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-fluorophenyl)sulfonyl-5'-methylspiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 3732757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).