N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide

C21H16N2O3S — CID 53309832

IUPACN-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(=O)c3cc(-c4ccccc4)cnc3ccc2c1
InChIInChI=1S/C21H16N2O3S/c1-27(25,26)23-17-8-9-18-15(11-17)7-10-20-19(21(18)24)12-16(13-22-20)14-5-3-2-4-6-14/h2-13,23H,1H3
InChIKeyCPNJMBOSJCJHHR-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.79
Rot. Bonds3

About N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide

N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide (PubChem CID 53309832) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide
PubChem CID53309832
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(=O)c3cc(-c4ccccc4)cnc3ccc2c1
InChIInChI=1S/C21H16N2O3S/c1-27(25,26)23-17-8-9-18-15(11-17)7-10-20-19(21(18)24)12-16(13-22-20)14-5-3-2-4-6-14/h2-13,23H,1H3
InChIKeyCPNJMBOSJCJHHR-UHFFFAOYSA-N
XLogP3.79
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide?
The IUPAC name of N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide (CID 53309832) is N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide.
What is the SMILES notation for N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide?
The canonical SMILES for N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2c(=O)c3cc(-c4ccccc4)cnc3ccc2c1.
What is the InChIKey of N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide?
The InChIKey is CPNJMBOSJCJHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-27(25,26)23-17-8-9-18-15(11-17)7-10-20-19(21(18)24)12-16(13-22-20)14-5-3-2-4-6-14/h2-13,23H,1H3.
What are the key properties of N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide?
N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-13-yl)methanesulfonamide is sourced from PubChem (CID 53309832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).