1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole

C16H16FNO4S — CID 110714003

IUPAC1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc(F)ccc32)c(OC)c1
InChIInChI=1S/C16H16FNO4S/c1-21-13-4-6-16(15(10-13)22-2)23(19,20)18-8-7-11-9-12(17)3-5-14(11)18/h3-6,9-10H,7-8H2,1-2H3
InChIKeyXWVAOEGUZSVXAF-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.59
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole

1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole (PubChem CID 110714003) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
PubChem CID110714003
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc(F)ccc32)c(OC)c1
InChIInChI=1S/C16H16FNO4S/c1-21-13-4-6-16(15(10-13)22-2)23(19,20)18-8-7-11-9-12(17)3-5-14(11)18/h3-6,9-10H,7-8H2,1-2H3
InChIKeyXWVAOEGUZSVXAF-UHFFFAOYSA-N
XLogP2.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole?
The IUPAC name of 1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole (CID 110714003) is 1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2CCc3cc(F)ccc32)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole?
The InChIKey is XWVAOEGUZSVXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-21-13-4-6-16(15(10-13)22-2)23(19,20)18-8-7-11-9-12(17)3-5-14(11)18/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole?
1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole has a molecular weight of 337.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole is sourced from PubChem (CID 110714003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).