2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline

C19H17Cl2N3O2S — CID 121198681

IUPAC2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCn1cc(C2CN(S(=O)(=O)c3c(Cl)cccc3Cl)Cc3ccccc32)cn1
InChIInChI=1S/C19H17Cl2N3O2S/c1-23-10-14(9-22-23)16-12-24(11-13-5-2-3-6-15(13)16)27(25,26)19-17(20)7-4-8-18(19)21/h2-10,16H,11-12H2,1H3
InChIKeyCBRILMBELPDLCX-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.06
Rot. Bonds3

About 2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline

2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 121198681) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID121198681
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC Name2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCn1cc(C2CN(S(=O)(=O)c3c(Cl)cccc3Cl)Cc3ccccc32)cn1
InChIInChI=1S/C19H17Cl2N3O2S/c1-23-10-14(9-22-23)16-12-24(11-13-5-2-3-6-15(13)16)27(25,26)19-17(20)7-4-8-18(19)21/h2-10,16H,11-12H2,1H3
InChIKeyCBRILMBELPDLCX-UHFFFAOYSA-N
XLogP4.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-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

2-(5-bromothiophen-2-yl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline
CID 121023024
2-(2,5-dimethylphenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline
CID 121198639
2-(3-fluoro-4-methoxyphenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline
CID 121198653
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 121198476
(5-bromo-2-chlorophenyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 121198416
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121198340
1-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-naphthalen-1-ylethanone
CID 121198460
pyridin-4-ylmethyl 4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121198544
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methylsulfanylphenyl)methanone
CID 121198510
1-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pent-4-en-1-one
CID 121198275
methyl 5-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-oxopentanoate
CID 121198537
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121198342

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline (CID 121198681) is 2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline is Cn1cc(C2CN(S(=O)(=O)c3c(Cl)cccc3Cl)Cc3ccccc32)cn1.
What is the InChIKey of 2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is CBRILMBELPDLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c1-23-10-14(9-22-23)16-12-24(11-13-5-2-3-6-15(13)16)27(25,26)19-17(20)7-4-8-18(19)21/h2-10,16H,11-12H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline?
2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 422.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 121198681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).