N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide

C21H24N2O3S — CID 7384637

IUPACN-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESCCN(c1ccccc1C)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C21H24N2O3S/c1-3-23(19-9-5-4-7-15(19)2)27(25,26)18-13-16-8-6-12-22-20(24)11-10-17(14-18)21(16)22/h4-5,7,9,13-14H,3,6,8,10-12H2,1-2H3
InChIKeyXWMFCLUNSQPQKY-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.44
Rot. Bonds4

About N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide

N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (PubChem CID 7384637) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
PubChem CID7384637
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESCCN(c1ccccc1C)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C21H24N2O3S/c1-3-23(19-9-5-4-7-15(19)2)27(25,26)18-13-16-8-6-12-22-20(24)11-10-17(14-18)21(16)22/h4-5,7,9,13-14H,3,6,8,10-12H2,1-2H3
InChIKeyXWMFCLUNSQPQKY-UHFFFAOYSA-N
XLogP3.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7601955
N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 4547230
N-cyclohexyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647908
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8512230
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
N-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656145
N-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8087427
4-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)benzenesulfonamide
CID 91827503
N-butyl-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 7526368

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The IUPAC name of N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (CID 7384637) is N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is CCN(c1ccccc1C)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2.
What is the InChIKey of N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The InChIKey is XWMFCLUNSQPQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-3-23(19-9-5-4-7-15(19)2)27(25,26)18-13-16-8-6-12-22-20(24)11-10-17(14-18)21(16)22/h4-5,7,9,13-14H,3,6,8,10-12H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is sourced from PubChem (CID 7384637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).