2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide

C16H18N2O4S2 — CID 110294128

IUPAC2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCc3ccc(S(N)(=O)=O)cc3C2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-12-2-5-15(6-3-12)24(21,22)18-9-8-13-4-7-16(23(17,19)20)10-14(13)11-18/h2-7,10H,8-9,11H2,1H3,(H2,17,19,20)
InChIKeySZZYBKUCIKHDAX-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.39
Rot. Bonds3

About 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide

2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide (PubChem CID 110294128) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
PubChem CID110294128
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCc3ccc(S(N)(=O)=O)cc3C2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-12-2-5-15(6-3-12)24(21,22)18-9-8-13-4-7-16(23(17,19)20)10-14(13)11-18/h2-7,10H,8-9,11H2,1H3,(H2,17,19,20)
InChIKeySZZYBKUCIKHDAX-UHFFFAOYSA-N
XLogP1.39
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide 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-(3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294148
2-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294152
2-N,2-N-dimethyl-3,4-dihydro-1H-isoquinoline-2,7-disulfonamide
CID 110294126
2-N-methyl-3,4-dihydro-1H-isoquinoline-2,7-disulfonamide
CID 110632546
2-(4-fluoro-2-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294139
7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 162521919
2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294064
N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide
CID 16926192
N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanecarboxamide
CID 16930140
N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzenesulfonamide
CID 16926172
5-methyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]thiophene-2-sulfonamide
CID 16926187
2-methyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930116

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide (CID 110294128) is 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide is Cc1ccc(S(=O)(=O)N2CCc3ccc(S(N)(=O)=O)cc3C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The InChIKey is SZZYBKUCIKHDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-12-2-5-15(6-3-12)24(21,22)18-9-8-13-4-7-16(23(17,19)20)10-14(13)11-18/h2-7,10H,8-9,11H2,1H3,(H2,17,19,20).
What are the key properties of 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide has a molecular weight of 366.46 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide is sourced from PubChem (CID 110294128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).