1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide

C20H22N4O4S — CID 69186068

IUPAC1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)CCN2c1cnnc2cc(OC)c(OC)cc12
InChIInChI=1S/C20H22N4O4S/c1-4-22-29(25,26)14-5-6-17-13(9-14)7-8-24(17)18-12-21-23-16-11-20(28-3)19(27-2)10-15(16)18/h5-6,9-12,22H,4,7-8H2,1-3H3
InChIKeyXJAHKXBDITVEBH-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.64
Rot. Bonds6

About 1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide

1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 69186068) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID69186068
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)CCN2c1cnnc2cc(OC)c(OC)cc12
InChIInChI=1S/C20H22N4O4S/c1-4-22-29(25,26)14-5-6-17-13(9-14)7-8-24(17)18-12-21-23-16-11-20(28-3)19(27-2)10-15(16)18/h5-6,9-12,22H,4,7-8H2,1-3H3
InChIKeyXJAHKXBDITVEBH-UHFFFAOYSA-N
XLogP2.64
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 11689899
1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide
CID 11553710
methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 11501765
6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline
CID 143198853
6,7-dimethoxy-4-(5-methoxy-2,3-dihydroindol-1-yl)quinazoline;methanesulfonic acid
CID 86752367
6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline
CID 163275175
3,4-dimethoxy-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 40828884
3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 19257849
N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide
CID 71996117
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383196
N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide
CID 165487001
3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578479

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide (CID 69186068) is 1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide is CCNS(=O)(=O)c1ccc2c(c1)CCN2c1cnnc2cc(OC)c(OC)cc12.
What is the InChIKey of 1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XJAHKXBDITVEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-4-22-29(25,26)14-5-6-17-13(9-14)7-8-24(17)18-12-21-23-16-11-20(28-3)19(27-2)10-15(16)18/h5-6,9-12,22H,4,7-8H2,1-3H3.
What are the key properties of 1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide?
1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 414.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 69186068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).