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

C20H24N4O4S — CID 142588049

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CC(O)C2)n1
InChIInChI=1S/C20H24N4O4S/c25-15-10-14(11-15)24-8-7-18(22-24)29(27,28)23-20(26)21-19-16-5-1-3-12(16)9-13-4-2-6-17(13)19/h7-9,14-15,25H,1-6,10-11H2,(H2,21,23,26)
InChIKeyZXFZENVFPDMZGO-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.07
Rot. Bonds4

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

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea (PubChem CID 142588049) 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-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea
PubChem CID142588049
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-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CC(O)C2)n1
InChIInChI=1S/C20H24N4O4S/c25-15-10-14(11-15)24-8-7-18(22-24)29(27,28)23-20(26)21-19-16-5-1-3-12(16)9-13-4-2-6-17(13)19/h7-9,14-15,25H,1-6,10-11H2,(H2,21,23,26)
InChIKeyZXFZENVFPDMZGO-UHFFFAOYSA-N
XLogP2.07
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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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-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea (CID 142588049) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CC(O)C2)n1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea?
The InChIKey is ZXFZENVFPDMZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c25-15-10-14(11-15)24-8-7-18(22-24)29(27,28)23-20(26)21-19-16-5-1-3-12(16)9-13-4-2-6-17(13)19/h7-9,14-15,25H,1-6,10-11H2,(H2,21,23,26).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea has a molecular weight of 416.50 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 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-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 142588049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).