N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide

C22H28N2O4S2 — CID 16926192

IUPACN-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCc3ccc(NS(=O)(=O)C4CCCCC4)cc3C2)cc1
InChIInChI=1S/C22H28N2O4S2/c1-17-7-11-22(12-8-17)30(27,28)24-14-13-18-9-10-20(15-19(18)16-24)23-29(25,26)21-5-3-2-4-6-21/h7-12,15,21,23H,2-6,13-14,16H2,1H3
InChIKeyUMLDAPHVNRRJCK-UHFFFAOYSA-N
MW448.61 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide

N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide (PubChem CID 16926192) has the molecular formula C22H28N2O4S2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide
PubChem CID16926192
Molecular FormulaC22H28N2O4S2
Molecular Weight448.61 g/mol
Exact Mass448.15
IUPAC NameN-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCc3ccc(NS(=O)(=O)C4CCCCC4)cc3C2)cc1
InChIInChI=1S/C22H28N2O4S2/c1-17-7-11-22(12-8-17)30(27,28)24-14-13-18-9-10-20(15-19(18)16-24)23-29(25,26)21-5-3-2-4-6-21/h7-12,15,21,23H,2-6,13-14,16H2,1H3
InChIKeyUMLDAPHVNRRJCK-UHFFFAOYSA-N
XLogP3.82
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide 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

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-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294128
N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbenzenesulfonamide
CID 16926329
N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16926228
2,5-dichloro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930158
4-chloro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930119
2-methyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930116
2-chloro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930176
2-ethoxy-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16930185
N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 16926236

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide (CID 16926192) is N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide is Cc1ccc(S(=O)(=O)N2CCc3ccc(NS(=O)(=O)C4CCCCC4)cc3C2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide?
The InChIKey is UMLDAPHVNRRJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S2/c1-17-7-11-22(12-8-17)30(27,28)24-14-13-18-9-10-20(15-19(18)16-24)23-29(25,26)21-5-3-2-4-6-21/h7-12,15,21,23H,2-6,13-14,16H2,1H3.
What are the key properties of N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide?
N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide has a molecular weight of 448.61 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclohexanesulfonamide is sourced from PubChem (CID 16926192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).