N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C19H20N2O3S — CID 22584712

IUPACN,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESCC1C(=O)N2CCCc3cc(S(=O)(=O)N(C)c4ccccc4)cc1c32
InChIInChI=1S/C19H20N2O3S/c1-13-17-12-16(11-14-7-6-10-21(18(14)17)19(13)22)25(23,24)20(2)15-8-4-3-5-9-15/h3-5,8-9,11-13H,6-7,10H2,1-2H3
InChIKeyGNUUCNCGXBKZOC-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.91
Rot. Bonds3

About N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 22584712) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID22584712
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESCC1C(=O)N2CCCc3cc(S(=O)(=O)N(C)c4ccccc4)cc1c32
InChIInChI=1S/C19H20N2O3S/c1-13-17-12-16(11-14-7-6-10-21(18(14)17)19(13)22)25(23,24)20(2)15-8-4-3-5-9-15/h3-5,8-9,11-13H,6-7,10H2,1-2H3
InChIKeyGNUUCNCGXBKZOC-UHFFFAOYSA-N
XLogP2.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 22584712) is N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is CC1C(=O)N2CCCc3cc(S(=O)(=O)N(C)c4ccccc4)cc1c32.
What is the InChIKey of N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is GNUUCNCGXBKZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-17-12-16(11-14-7-6-10-21(18(14)17)19(13)22)25(23,24)20(2)15-8-4-3-5-9-15/h3-5,8-9,11-13H,6-7,10H2,1-2H3.
What are the key properties of N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-oxo-N-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 22584712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).