11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C17H16N2O3S — CID 7526462

IUPAC11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3ccccc3)cc3c2N1CC3
InChIInChI=1S/C17H16N2O3S/c20-16-7-6-12-10-15(11-13-8-9-19(16)17(12)13)23(21,22)18-14-4-2-1-3-5-14/h1-5,10-11,18H,6-9H2
InChIKeyIUKHYIOJTINHIZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.32
Rot. Bonds3

About 11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 7526462) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound Name11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID7526462
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)Nc3ccccc3)cc3c2N1CC3
InChIInChI=1S/C17H16N2O3S/c20-16-7-6-12-10-15(11-13-8-9-19(16)17(12)13)23(21,22)18-14-4-2-1-3-5-14/h1-5,10-11,18H,6-9H2
InChIKeyIUKHYIOJTINHIZ-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of 11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 7526462) is 11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for 11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for 11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)Nc3ccccc3)cc3c2N1CC3.
What is the InChIKey of 11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is IUKHYIOJTINHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-16-7-6-12-10-15(11-13-8-9-19(16)17(12)13)23(21,22)18-14-4-2-1-3-5-14/h1-5,10-11,18H,6-9H2.
What are the key properties of 11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 7526462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).