1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C17H18N2O4S — CID 122499827

IUPAC1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccco1
InChIInChI=1S/C17H18N2O4S/c20-17(19-24(21,22)15-8-3-9-23-15)18-16-13-6-1-4-11(13)10-12-5-2-7-14(12)16/h3,8-10H,1-2,4-7H2,(H2,18,19,20)
InChIKeyDHIWGBBDYYOLLT-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.77
Rot. Bonds3

About 1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 122499827) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

Compound Name1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID122499827
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccco1
InChIInChI=1S/C17H18N2O4S/c20-17(19-24(21,22)15-8-3-9-23-15)18-16-13-6-1-4-11(13)10-12-5-2-7-14(12)16/h3,8-10H,1-2,4-7H2,(H2,18,19,20)
InChIKeyDHIWGBBDYYOLLT-UHFFFAOYSA-N
XLogP2.77
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 122499827) is 1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is DHIWGBBDYYOLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-17(19-24(21,22)15-8-3-9-23-15)18-16-13-6-1-4-11(13)10-12-5-2-7-14(12)16/h3,8-10H,1-2,4-7H2,(H2,18,19,20).
What are the key properties of 1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 346.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 122499827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).