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

C20H22N2O4S — CID 7527110

IUPACN-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C20H22N2O4S/c1-26-18-7-3-2-5-16(18)13-21-27(24,25)17-11-14-6-4-10-22-19(23)9-8-15(12-17)20(14)22/h2-3,5,7,11-12,21H,4,6,8-10,13H2,1H3
InChIKeyOIYKLLZACNRJCK-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.40
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (PubChem CID 7527110) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
PubChem CID7527110
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C20H22N2O4S/c1-26-18-7-3-2-5-16(18)13-21-27(24,25)17-11-14-6-4-10-22-19(23)9-8-15(12-17)20(14)22/h2-3,5,7,11-12,21H,4,6,8-10,13H2,1H3
InChIKeyOIYKLLZACNRJCK-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3239722
N-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3638189
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3241425
6-[(3,5-Dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 4217968
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 5307186
N-(2-methoxyphenyl)-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 7161284
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 7287024
1-acetyl-N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7401518
4-methoxy-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
CID 7526337
N-(2-methoxyphenethyl)-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 7526405
N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526470
4-methoxy-3-methyl-N-{2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-7-yl}benzene-1-sulfonamide
CID 7527013

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (CID 7527110) is N-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is COc1ccccc1CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The InChIKey is OIYKLLZACNRJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-26-18-7-3-2-5-16(18)13-21-27(24,25)17-11-14-6-4-10-22-19(23)9-8-15(12-17)20(14)22/h2-3,5,7,11-12,21H,4,6,8-10,13H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
N-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is sourced from PubChem (CID 7527110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).