2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide

C19H20N2O4S — CID 7161339

IUPAC2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C19H20N2O4S/c1-12-5-6-16(25-2)17(8-12)26(23,24)20-15-9-13-4-3-7-21-18(22)11-14(10-15)19(13)21/h5-6,8-10,20H,3-4,7,11H2,1-2H3
InChIKeyRELUOWNQBLIXDB-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.64
Rot. Bonds4

About 2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide

2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (PubChem CID 7161339) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
PubChem CID7161339
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C19H20N2O4S/c1-12-5-6-16(25-2)17(8-12)26(23,24)20-15-9-13-4-3-7-21-18(22)11-14(10-15)19(13)21/h5-6,8-10,20H,3-4,7,11H2,1-2H3
InChIKeyRELUOWNQBLIXDB-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (CID 7161339) is 2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2.
What is the InChIKey of 2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The InChIKey is RELUOWNQBLIXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-5-6-16(25-2)17(8-12)26(23,24)20-15-9-13-4-3-7-21-18(22)11-14(10-15)19(13)21/h5-6,8-10,20H,3-4,7,11H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is sourced from PubChem (CID 7161339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).