1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole

C13H10ClFN2O2S — CID 75432386

IUPAC1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole
SMILESO=S(=O)(c1cncc(Cl)c1)N1CCc2cccc(F)c21
InChIInChI=1S/C13H10ClFN2O2S/c14-10-6-11(8-16-7-10)20(18,19)17-5-4-9-2-1-3-12(15)13(9)17/h1-3,6-8H,4-5H2
InChIKeyHQTNXIDCSWTUII-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.63
Rot. Bonds2

About 1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole

1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole (PubChem CID 75432386) has the molecular formula C13H10ClFN2O2S and a molecular weight of 312.75 g/mol. Its IUPAC name is 1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole
PubChem CID75432386
Molecular FormulaC13H10ClFN2O2S
Molecular Weight312.75 g/mol
Exact Mass312.01
IUPAC Name1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole
SMILESO=S(=O)(c1cncc(Cl)c1)N1CCc2cccc(F)c21
InChIInChI=1S/C13H10ClFN2O2S/c14-10-6-11(8-16-7-10)20(18,19)17-5-4-9-2-1-3-12(15)13(9)17/h1-3,6-8H,4-5H2
InChIKeyHQTNXIDCSWTUII-UHFFFAOYSA-N
XLogP2.63
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole?
The IUPAC name of 1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole (CID 75432386) is 1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole is O=S(=O)(c1cncc(Cl)c1)N1CCc2cccc(F)c21.
What is the InChIKey of 1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole?
The InChIKey is HQTNXIDCSWTUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2S/c14-10-6-11(8-16-7-10)20(18,19)17-5-4-9-2-1-3-12(15)13(9)17/h1-3,6-8H,4-5H2.
What are the key properties of 1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole?
1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole has a molecular weight of 312.75 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole is sourced from PubChem (CID 75432386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).