2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide

C19H20N2O5S — CID 16803348

IUPAC2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)c1
InChIInChI=1S/C19H20N2O5S/c1-25-15-5-6-16(26-2)17(11-15)27(23,24)20-14-8-12-4-3-7-21-18(22)10-13(9-14)19(12)21/h5-6,8-9,11,20H,3-4,7,10H2,1-2H3
InChIKeyDEKQRJKOHNBOGY-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.34
Rot. Bonds5

About 2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide

2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (PubChem CID 16803348) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
PubChem CID16803348
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)c1
InChIInChI=1S/C19H20N2O5S/c1-25-15-5-6-16(26-2)17(11-15)27(23,24)20-14-8-12-4-3-7-21-18(22)10-13(9-14)19(12)21/h5-6,8-9,11,20H,3-4,7,10H2,1-2H3
InChIKeyDEKQRJKOHNBOGY-UHFFFAOYSA-N
XLogP2.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
CID 145829182
4-methoxy-N-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
CID 7161333
Methyl 3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanoate
CID 155682739
N-(3-cyclobutylidene-2-oxo-1H-indol-5-yl)-2-methoxybenzenesulfonamide
CID 162648154
N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide
CID 162657414
2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide
CID 162662428
2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
CID 16826960
1-(2,5-Dimethoxy-benzenesulfonyl)-piperidine-4-carboxylic acid (2,5-dimethyl-phenyl)-amide
CID 1091421
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
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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (CID 16803348) is 2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)c1.
What is the InChIKey of 2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The InChIKey is DEKQRJKOHNBOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-25-15-5-6-16(26-2)17(11-15)27(23,24)20-14-8-12-4-3-7-21-18(22)10-13(9-14)19(12)21/h5-6,8-9,11,20H,3-4,7,10H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is sourced from PubChem (CID 16803348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).