1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole

C13H11ClN2O2S — CID 822448

IUPAC1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCc2ccccc21
InChIInChI=1S/C13H11ClN2O2S/c14-13-6-5-11(9-15-13)19(17,18)16-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8H2
InChIKeyIEYULSYNOZOHOL-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.49
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole

1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole (PubChem CID 822448) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole
PubChem CID822448
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Cl)nc1)N1CCc2ccccc21
InChIInChI=1S/C13H11ClN2O2S/c14-13-6-5-11(9-15-13)19(17,18)16-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8H2
InChIKeyIEYULSYNOZOHOL-UHFFFAOYSA-N
XLogP2.49
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole (CID 822448) is 1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole is O=S(=O)(c1ccc(Cl)nc1)N1CCc2ccccc21.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole?
The InChIKey is IEYULSYNOZOHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-13-6-5-11(9-15-13)19(17,18)16-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8H2.
What are the key properties of 1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole?
1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole has a molecular weight of 294.76 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)sulfonyl]-2,3-dihydroindole is sourced from PubChem (CID 822448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).