1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea

C18H19N3O3S — CID 122480620

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccccn1
InChIInChI=1S/C18H19N3O3S/c22-18(21-25(23,24)16-9-1-2-10-19-16)20-17-14-7-3-5-12(14)11-13-6-4-8-15(13)17/h1-2,9-11H,3-8H2,(H2,20,21,22)
InChIKeyGXRZVKUWAJJBOA-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.57
Rot. Bonds3

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea (PubChem CID 122480620) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea
PubChem CID122480620
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccccn1
InChIInChI=1S/C18H19N3O3S/c22-18(21-25(23,24)16-9-1-2-10-19-16)20-17-14-7-3-5-12(14)11-13-6-4-8-15(13)17/h1-2,9-11H,3-8H2,(H2,20,21,22)
InChIKeyGXRZVKUWAJJBOA-UHFFFAOYSA-N
XLogP2.57
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea (CID 122480620) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccccn1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea?
The InChIKey is GXRZVKUWAJJBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-18(21-25(23,24)16-9-1-2-10-19-16)20-17-14-7-3-5-12(14)11-13-6-4-8-15(13)17/h1-2,9-11H,3-8H2,(H2,20,21,22).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea has a molecular weight of 357.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-2-ylsulfonylurea is sourced from PubChem (CID 122480620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).