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

C18H19N3O3S — CID 137403916

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-4-ylsulfonylurea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccncc1
InChIInChI=1S/C18H19N3O3S/c22-18(21-25(23,24)14-7-9-19-10-8-14)20-17-15-5-1-3-12(15)11-13-4-2-6-16(13)17/h7-11H,1-6H2,(H2,20,21,22)
InChIKeyWSEWXPRNYSRHBR-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-4-ylsulfonylurea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-4-ylsulfonylurea (PubChem CID 137403916) 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-4-ylsulfonylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-4-ylsulfonylurea
PubChem CID137403916
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-4-ylsulfonylurea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccncc1
InChIInChI=1S/C18H19N3O3S/c22-18(21-25(23,24)14-7-9-19-10-8-14)20-17-15-5-1-3-12(15)11-13-4-2-6-16(13)17/h7-11H,1-6H2,(H2,20,21,22)
InChIKeyWSEWXPRNYSRHBR-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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-4-ylsulfonylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-4-ylsulfonylurea (CID 137403916) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-4-ylsulfonylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-4-ylsulfonylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-4-ylsulfonylurea is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccncc1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-4-ylsulfonylurea?
The InChIKey is WSEWXPRNYSRHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-18(21-25(23,24)14-7-9-19-10-8-14)20-17-15-5-1-3-12(15)11-13-4-2-6-16(13)17/h7-11H,1-6H2,(H2,20,21,22).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-4-ylsulfonylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyridin-4-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-4-ylsulfonylurea is sourced from PubChem (CID 137403916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).