1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C17H26N2O4S — CID 45378363

IUPAC1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCOc1cc2c(cc1OC)C(C1CCCCC1)N(S(N)(=O)=O)CC2
InChIInChI=1S/C17H26N2O4S/c1-22-15-10-13-8-9-19(24(18,20)21)17(12-6-4-3-5-7-12)14(13)11-16(15)23-2/h10-12,17H,3-9H2,1-2H3,(H2,18,20,21)
InChIKeyIQAZISQFVSXDOO-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.39
Rot. Bonds4

About 1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide

1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 45378363) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID45378363
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCOc1cc2c(cc1OC)C(C1CCCCC1)N(S(N)(=O)=O)CC2
InChIInChI=1S/C17H26N2O4S/c1-22-15-10-13-8-9-19(24(18,20)21)17(12-6-4-3-5-7-12)14(13)11-16(15)23-2/h10-12,17H,3-9H2,1-2H3,(H2,18,20,21)
InChIKeyIQAZISQFVSXDOO-UHFFFAOYSA-N
XLogP2.39
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of 1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 45378363) is 1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for 1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for 1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide is COc1cc2c(cc1OC)C(C1CCCCC1)N(S(N)(=O)=O)CC2.
What is the InChIKey of 1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is IQAZISQFVSXDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-22-15-10-13-8-9-19(24(18,20)21)17(12-6-4-3-5-7-12)14(13)11-16(15)23-2/h10-12,17H,3-9H2,1-2H3,(H2,18,20,21).
What are the key properties of 1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 354.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 45378363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).