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

C15H14FNO3S — CID 3575663

IUPAC5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc(F)ccc32)cc1
InChIInChI=1S/C15H14FNO3S/c1-20-13-3-5-14(6-4-13)21(18,19)17-9-8-11-10-12(16)2-7-15(11)17/h2-7,10H,8-9H2,1H3
InChIKeyWLMCEFZRKFINCQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.59
Rot. Bonds3

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

5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 3575663) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
PubChem CID3575663
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc(F)ccc32)cc1
InChIInChI=1S/C15H14FNO3S/c1-20-13-3-5-14(6-4-13)21(18,19)17-9-8-11-10-12(16)2-7-15(11)17/h2-7,10H,8-9H2,1H3
InChIKeyWLMCEFZRKFINCQ-UHFFFAOYSA-N
XLogP2.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole (CID 3575663) is 5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2CCc3cc(F)ccc32)cc1.
What is the InChIKey of 5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is WLMCEFZRKFINCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-20-13-3-5-14(6-4-13)21(18,19)17-9-8-11-10-12(16)2-7-15(11)17/h2-7,10H,8-9H2,1H3.
What are the key properties of 5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 307.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 3575663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).