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

C18H18N2O4S — CID 7161333

IUPAC4-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1
InChIInChI=1S/C18H18N2O4S/c1-24-15-4-6-16(7-5-15)25(22,23)19-14-9-12-3-2-8-20-17(21)11-13(10-14)18(12)20/h4-7,9-10,19H,2-3,8,11H2,1H3
InChIKeyDRBVAWUJLZNQTF-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.33
Rot. Bonds4

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

4-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (PubChem CID 7161333) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
PubChem CID7161333
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1
InChIInChI=1S/C18H18N2O4S/c1-24-15-4-6-16(7-5-15)25(22,23)19-14-9-12-3-2-8-20-17(21)11-13(10-14)18(12)20/h4-7,9-10,19H,2-3,8,11H2,1H3
InChIKeyDRBVAWUJLZNQTF-UHFFFAOYSA-N
XLogP2.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (CID 7161333) is 4-methoxy-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-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1.
What is the InChIKey of 4-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The InChIKey is DRBVAWUJLZNQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-24-15-4-6-16(7-5-15)25(22,23)19-14-9-12-3-2-8-20-17(21)11-13(10-14)18(12)20/h4-7,9-10,19H,2-3,8,11H2,1H3.
What are the key properties of 4-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
4-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is sourced from PubChem (CID 7161333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).