N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide

C19H16N2O5S — CID 16766286

IUPACN-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide
SMILESCc1cc(=O)n2c3c(cc(S(=O)(=O)Nc4ccc5c(c4)OCO5)cc13)CC2
InChIInChI=1S/C19H16N2O5S/c1-11-6-18(22)21-5-4-12-7-14(9-15(11)19(12)21)27(23,24)20-13-2-3-16-17(8-13)26-10-25-16/h2-3,6-9,20H,4-5,10H2,1H3
InChIKeyURCASFWSUWANAU-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.40
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide

N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide (PubChem CID 16766286) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide
PubChem CID16766286
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide
SMILESCc1cc(=O)n2c3c(cc(S(=O)(=O)Nc4ccc5c(c4)OCO5)cc13)CC2
InChIInChI=1S/C19H16N2O5S/c1-11-6-18(22)21-5-4-12-7-14(9-15(11)19(12)21)27(23,24)20-13-2-3-16-17(8-13)26-10-25-16/h2-3,6-9,20H,4-5,10H2,1H3
InChIKeyURCASFWSUWANAU-UHFFFAOYSA-N
XLogP2.40
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide with MolForge

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Related Compounds

N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110729382
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283
N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)-1-methylpyrrole-3-sulfonamide
CID 106023600
4-methyl-7-morpholin-4-ylsulfonyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
CID 5300960
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112981618
N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945958
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(1,3-benzodioxol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 768991

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide (CID 16766286) is N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide is Cc1cc(=O)n2c3c(cc(S(=O)(=O)Nc4ccc5c(c4)OCO5)cc13)CC2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide?
The InChIKey is URCASFWSUWANAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-11-6-18(22)21-5-4-12-7-14(9-15(11)19(12)21)27(23,24)20-13-2-3-16-17(8-13)26-10-25-16/h2-3,6-9,20H,4-5,10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide?
N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide has a molecular weight of 384.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-9-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-6-sulfonamide is sourced from PubChem (CID 16766286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).