4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline

C17H17NO2S — CID 101240458

IUPAC4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline
SMILESC=C1CN(S(=O)(=O)c2ccc(C)cc2)Cc2ccccc21
InChIInChI=1S/C17H17NO2S/c1-13-7-9-16(10-8-13)21(19,20)18-11-14(2)17-6-4-3-5-15(17)12-18/h3-10H,2,11-12H2,1H3
InChIKeyDZMYTIJUZZIBES-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.21
Rot. Bonds2

About 4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline

4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline (PubChem CID 101240458) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Name4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline
PubChem CID101240458
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline
SMILESC=C1CN(S(=O)(=O)c2ccc(C)cc2)Cc2ccccc21
InChIInChI=1S/C17H17NO2S/c1-13-7-9-16(10-8-13)21(19,20)18-11-14(2)17-6-4-3-5-15(17)12-18/h3-10H,2,11-12H2,1H3
InChIKeyDZMYTIJUZZIBES-UHFFFAOYSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline 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

Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-
CID 276460
1,2,3,4-Tetrahydroisoquinoline-7-sulfonamide
CID 5226
1'-((4-Methylphenyl)sulfonyl)spiro(1H-indene-1,4'-piperidine)
CID 9797987
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
2-[(4-Fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 753515
5-methyl-2-(4-methylphenyl)sulfonylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]
CID 2729788
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
ST50831294
CID 777204
2-[(2-Fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 863777
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide
CID 583321
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
2-[(2,3,5,6-Tetramethylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 3839722

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline?
The IUPAC name of 4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline (CID 101240458) is 4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline.
What is the SMILES notation for 4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline?
The canonical SMILES for 4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline is C=C1CN(S(=O)(=O)c2ccc(C)cc2)Cc2ccccc21.
What is the InChIKey of 4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline?
The InChIKey is DZMYTIJUZZIBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-13-7-9-16(10-8-13)21(19,20)18-11-14(2)17-6-4-3-5-15(17)12-18/h3-10H,2,11-12H2,1H3.
What are the key properties of 4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline?
4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline has a molecular weight of 299.40 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinoline is sourced from PubChem (CID 101240458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).