N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide

C19H21N3O4S — CID 159951214

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1
InChIInChI=1S/C19H21N3O4S/c1-26-17-8-9-18(22-21-17)27(24,25)11-16(23)20-19-14-6-2-4-12(14)10-13-5-3-7-15(13)19/h8-10H,2-7,11H2,1H3,(H,20,23)
InChIKeyAOPBCZHGLOBFML-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.88
Rot. Bonds5

About N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide (PubChem CID 159951214) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide
PubChem CID159951214
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1
InChIInChI=1S/C19H21N3O4S/c1-26-17-8-9-18(22-21-17)27(24,25)11-16(23)20-19-14-6-2-4-12(14)10-13-5-3-7-15(13)19/h8-10H,2-7,11H2,1H3,(H,20,23)
InChIKeyAOPBCZHGLOBFML-UHFFFAOYSA-N
XLogP1.88
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403949
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5-(dimethylamino)pyrazine-2-sulfonamide;2-[5-(dimethylamino)pyrazin-2-yl]sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;1,2,3,5,6,7-hexahydro-s-indacen-4-yl cyanate
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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide (CID 159951214) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide is COc1ccc(S(=O)(=O)CC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide?
The InChIKey is AOPBCZHGLOBFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-26-17-8-9-18(22-21-17)27(24,25)11-16(23)20-19-14-6-2-4-12(14)10-13-5-3-7-15(13)19/h8-10H,2-7,11H2,1H3,(H,20,23).
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide has a molecular weight of 387.46 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(6-methoxypyridazin-3-yl)sulfonylacetamide is sourced from PubChem (CID 159951214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).