1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea

C20H24N4O4S — CID 142588060

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CCOC2)n1
InChIInChI=1S/C20H24N4O4S/c25-20(21-19-16-5-1-3-13(16)11-14-4-2-6-17(14)19)23-29(26,27)18-7-9-24(22-18)15-8-10-28-12-15/h7,9,11,15H,1-6,8,10,12H2,(H2,21,23,25)
InChIKeyJADBBBSCAIDXPH-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.33
Rot. Bonds4

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea (PubChem CID 142588060) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea
PubChem CID142588060
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CCOC2)n1
InChIInChI=1S/C20H24N4O4S/c25-20(21-19-16-5-1-3-13(16)11-14-4-2-6-17(14)19)23-29(26,27)18-7-9-24(22-18)15-8-10-28-12-15/h7,9,11,15H,1-6,8,10,12H2,(H2,21,23,25)
InChIKeyJADBBBSCAIDXPH-UHFFFAOYSA-N
XLogP2.33
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 170601005
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea
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1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea
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1-(1-tert-butylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclohexylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)sulfonylurea
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N-[[[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-hydroxymethyl]-1-(oxolan-3-yl)pyrazole-3-sulfonamide
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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-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea (CID 142588060) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CCOC2)n1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea?
The InChIKey is JADBBBSCAIDXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c25-20(21-19-16-5-1-3-13(16)11-14-4-2-6-17(14)19)23-29(26,27)18-7-9-24(22-18)15-8-10-28-12-15/h7,9,11,15H,1-6,8,10,12H2,(H2,21,23,25).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea has a molecular weight of 416.50 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 142588060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).