6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

C15H12Cl2N2O4S — CID 110616106

IUPAC6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
SMILESO=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCc2cc3c(cc2C1)OCO3
InChIInChI=1S/C15H12Cl2N2O4S/c16-12-5-11(6-18-15(12)17)24(20,21)19-2-1-9-3-13-14(23-8-22-13)4-10(9)7-19/h3-6H,1-2,7-8H2
InChIKeyAWWLOOYTYHPPEH-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.86
Rot. Bonds2

About 6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 110616106) has the molecular formula C15H12Cl2N2O4S and a molecular weight of 387.24 g/mol. Its IUPAC name is 6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID110616106
Molecular FormulaC15H12Cl2N2O4S
Molecular Weight387.24 g/mol
Exact Mass385.99
IUPAC Name6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
SMILESO=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCc2cc3c(cc2C1)OCO3
InChIInChI=1S/C15H12Cl2N2O4S/c16-12-5-11(6-18-15(12)17)24(20,21)19-2-1-9-3-13-14(23-8-22-13)4-10(9)7-19/h3-6H,1-2,7-8H2
InChIKeyAWWLOOYTYHPPEH-UHFFFAOYSA-N
XLogP2.86
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,3-benzodioxol-5-ylsulfonyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 110601698
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
7-(3-chlorophenyl)sulfonyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
CID 110647199
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-oxazepane
CID 64608038
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 64606820
8-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
CID 4976241
2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 64608977
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
CID 110295033
(3R)-1-[(5,6-dichloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103834699
8-(4-bromophenyl)sulfonyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
CID 4899106
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine
CID 64607202
8-(4-fluorophenyl)sulfonyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
CID 4899843

Frequently Asked Questions

What is the IUPAC name of 6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of 6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline (CID 110616106) is 6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for 6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for 6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline is O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCc2cc3c(cc2C1)OCO3.
What is the InChIKey of 6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is AWWLOOYTYHPPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4S/c16-12-5-11(6-18-15(12)17)24(20,21)19-2-1-9-3-13-14(23-8-22-13)4-10(9)7-19/h3-6H,1-2,7-8H2.
What are the key properties of 6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline?
6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 387.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,6-dichloro-3-pyridinyl)sulfonyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 110616106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).