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

C18H18N2O3S — CID 7526666

IUPAC4-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-4-6-16(7-5-12)24(22,23)19-15-9-13-3-2-8-20-17(21)11-14(10-15)18(13)20/h4-7,9-10,19H,2-3,8,11H2,1H3
InChIKeyWBOYEFWUJSUAJD-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.63
Rot. Bonds3

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

4-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (PubChem CID 7526666) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
PubChem CID7526666
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1
InChIInChI=1S/C18H18N2O3S/c1-12-4-6-16(7-5-12)24(22,23)19-15-9-13-3-2-8-20-17(21)11-14(10-15)18(13)20/h4-7,9-10,19H,2-3,8,11H2,1H3
InChIKeyWBOYEFWUJSUAJD-UHFFFAOYSA-N
XLogP2.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (CID 7526666) is 4-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 4-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1.
What is the InChIKey of 4-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The InChIKey is WBOYEFWUJSUAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-4-6-16(7-5-12)24(22,23)19-15-9-13-3-2-8-20-17(21)11-14(10-15)18(13)20/h4-7,9-10,19H,2-3,8,11H2,1H3.
What are the key properties of 4-methyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
4-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 342.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-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 7526666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).