1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole

C14H12Cl2N2O2S — CID 3910855

IUPAC1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2S/c1-9-6-10-4-2-3-5-13(10)18(9)21(19,20)11-7-12(15)14(16)17-8-11/h2-5,7-9H,6H2,1H3
InChIKeyLHRQCPPBPRVVMQ-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.53
Rot. Bonds2

About 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole

1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole (PubChem CID 3910855) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
PubChem CID3910855
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC Name1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2S/c1-9-6-10-4-2-3-5-13(10)18(9)21(19,20)11-7-12(15)14(16)17-8-11/h2-5,7-9H,6H2,1H3
InChIKeyLHRQCPPBPRVVMQ-UHFFFAOYSA-N
XLogP3.53
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.53
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-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole (CID 3910855) is 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1S(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole?
The InChIKey is LHRQCPPBPRVVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c1-9-6-10-4-2-3-5-13(10)18(9)21(19,20)11-7-12(15)14(16)17-8-11/h2-5,7-9H,6H2,1H3.
What are the key properties of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole?
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole has a molecular weight of 343.24 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 3910855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).