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

C17H18N4O3S — CID 137403460

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrazin-2-ylsulfonylurea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnccn1
InChIInChI=1S/C17H18N4O3S/c22-17(21-25(23,24)15-10-18-7-8-19-15)20-16-13-5-1-3-11(13)9-12-4-2-6-14(12)16/h7-10H,1-6H2,(H2,20,21,22)
InChIKeyWXDSQPPGCOANAC-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.96
Rot. Bonds3

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

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrazin-2-ylsulfonylurea (PubChem CID 137403460) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrazin-2-ylsulfonylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrazin-2-ylsulfonylurea
PubChem CID137403460
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrazin-2-ylsulfonylurea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnccn1
InChIInChI=1S/C17H18N4O3S/c22-17(21-25(23,24)15-10-18-7-8-19-15)20-16-13-5-1-3-11(13)9-12-4-2-6-14(12)16/h7-10H,1-6H2,(H2,20,21,22)
InChIKeyWXDSQPPGCOANAC-UHFFFAOYSA-N
XLogP1.96
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-pyrazin-2-ylsulfonylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrazin-2-ylsulfonylurea (CID 137403460) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrazin-2-ylsulfonylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrazin-2-ylsulfonylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrazin-2-ylsulfonylurea is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnccn1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrazin-2-ylsulfonylurea?
The InChIKey is WXDSQPPGCOANAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-17(21-25(23,24)15-10-18-7-8-19-15)20-16-13-5-1-3-11(13)9-12-4-2-6-14(12)16/h7-10H,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-pyrazin-2-ylsulfonylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrazin-2-ylsulfonylurea has a molecular weight of 358.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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-pyrazin-2-ylsulfonylurea is sourced from PubChem (CID 137403460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).