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

C15H13ClFNO3S — CID 110714028

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C15H13ClFNO3S/c1-21-14-5-2-11(16)9-15(14)22(19,20)18-7-6-10-8-12(17)3-4-13(10)18/h2-5,8-9H,6-7H2,1H3
InChIKeyKTEXYWXYJPUCRD-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.24
Rot. Bonds3

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

1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole (PubChem CID 110714028) has the molecular formula C15H13ClFNO3S and a molecular weight of 341.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
PubChem CID110714028
Molecular FormulaC15H13ClFNO3S
Molecular Weight341.79 g/mol
Exact Mass341.03
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C15H13ClFNO3S/c1-21-14-5-2-11(16)9-15(14)22(19,20)18-7-6-10-8-12(17)3-4-13(10)18/h2-5,8-9H,6-7H2,1H3
InChIKeyKTEXYWXYJPUCRD-UHFFFAOYSA-N
XLogP3.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole (CID 110714028) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole is COc1ccc(Cl)cc1S(=O)(=O)N1CCc2cc(F)ccc21.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole?
The InChIKey is KTEXYWXYJPUCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3S/c1-21-14-5-2-11(16)9-15(14)22(19,20)18-7-6-10-8-12(17)3-4-13(10)18/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole?
1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole has a molecular weight of 341.79 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole is sourced from PubChem (CID 110714028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).