1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline

C15H14ClFN2O2S — CID 3652897

IUPAC1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H14ClFN2O2S/c1-10-2-3-11-8-12(17)4-6-14(11)19(10)22(20,21)13-5-7-15(16)18-9-13/h4-10H,2-3H2,1H3
InChIKeyLOSMGEJWKBRHBH-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.40
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline

1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 3652897) has the molecular formula C15H14ClFN2O2S and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID3652897
Molecular FormulaC15H14ClFN2O2S
Molecular Weight340.81 g/mol
Exact Mass340.04
IUPAC Name1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H14ClFN2O2S/c1-10-2-3-11-8-12(17)4-6-14(11)19(10)22(20,21)13-5-7-15(16)18-9-13/h4-10H,2-3H2,1H3
InChIKeyLOSMGEJWKBRHBH-UHFFFAOYSA-N
XLogP3.40
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.40
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]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline (CID 3652897) is 1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline is CC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is LOSMGEJWKBRHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2S/c1-10-2-3-11-8-12(17)4-6-14(11)19(10)22(20,21)13-5-7-15(16)18-9-13/h4-10H,2-3H2,1H3.
What are the key properties of 1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
1-[(6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 340.81 g/mol, XLogP of 3.40, 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]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 3652897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).