11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C17H17N3O3S — CID 7526432

IUPAC11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3ccccn3)cc3c2N1CC3
InChIInChI=1S/C17H17N3O3S/c21-16-5-4-12-9-15(10-13-6-8-20(16)17(12)13)24(22,23)19-11-14-3-1-2-7-18-14/h1-3,7,9-10,19H,4-6,8,11H2
InChIKeyBTAZJKXJDRACHF-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.40
Rot. Bonds4

About 11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 7526432) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound Name11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID7526432
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3ccccn3)cc3c2N1CC3
InChIInChI=1S/C17H17N3O3S/c21-16-5-4-12-9-15(10-13-6-8-20(16)17(12)13)24(22,23)19-11-14-3-1-2-7-18-14/h1-3,7,9-10,19H,4-6,8,11H2
InChIKeyBTAZJKXJDRACHF-UHFFFAOYSA-N
XLogP1.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of 11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 7526432) is 11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for 11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for 11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)NCc3ccccn3)cc3c2N1CC3.
What is the InChIKey of 11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is BTAZJKXJDRACHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-16-5-4-12-9-15(10-13-6-8-20(16)17(12)13)24(22,23)19-11-14-3-1-2-7-18-14/h1-3,7,9-10,19H,4-6,8,11H2.
What are the key properties of 11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-N-(pyridin-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 7526432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).