N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide

C19H20N2O4S — CID 7527096

IUPACN-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1
InChIInChI=1S/C19H20N2O4S/c1-25-16-6-2-5-15(12-16)20-26(23,24)17-10-13-4-3-9-21-18(22)8-7-14(11-17)19(13)21/h2,5-6,10-12,20H,3-4,7-9H2,1H3
InChIKeyTYUTUBLGAVWVGS-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.72
Rot. Bonds4

About N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide

N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (PubChem CID 7527096) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
PubChem CID7527096
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1
InChIInChI=1S/C19H20N2O4S/c1-25-16-6-2-5-15(12-16)20-26(23,24)17-10-13-4-3-9-21-18(22)8-7-14(11-17)19(13)21/h2,5-6,10-12,20H,3-4,7-9H2,1H3
InChIKeyTYUTUBLGAVWVGS-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-Cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
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CID 16031805
N-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
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CID 4149969
N-(3-isopropoxypropyl)-6-{[(3-methoxyphenyl)amino]sulfonyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
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CID 3239829
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide (CID 7527096) is N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is COc1cccc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
The InChIKey is TYUTUBLGAVWVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-25-16-6-2-5-15(12-16)20-26(23,24)17-10-13-4-3-9-21-18(22)8-7-14(11-17)19(13)21/h2,5-6,10-12,20H,3-4,7-9H2,1H3.
What are the key properties of N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide?
N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide is sourced from PubChem (CID 7527096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).