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LGO

C22H20N6O5S2 — CID 155811826

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2cnn(-c3ccc(S(N)(=O)=O)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H20N6O5S2/c23-34(30,31)18-10-6-16(7-11-18)26-22(29)27-20-14-25-28(21(20)15-4-2-1-3-5-15)17-8-12-19(13-9-17)35(24,32)33/h1-14H,(H2,23,30,31)(H2,24,32,33)(H2,26,27,29)
InChIKeyZOOBJKVJHXVCFM-UHFFFAOYSA-N
MW512.57 g/mol
LogP2.48
Rot. Bonds6

About LGO

LGO (PubChem CID 155811826) has the molecular formula C22H20N6O5S2 and a molecular weight of 512.57 g/mol. Its IUPAC name is 1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound NameLGO
PubChem CID155811826
Molecular FormulaC22H20N6O5S2
Molecular Weight512.57 g/mol
Exact Mass512.09
IUPAC Name1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2cnn(-c3ccc(S(N)(=O)=O)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H20N6O5S2/c23-34(30,31)18-10-6-16(7-11-18)26-22(29)27-20-14-25-28(21(20)15-4-2-1-3-5-15)17-8-12-19(13-9-17)35(24,32)33/h1-14H,(H2,23,30,31)(H2,24,32,33)(H2,26,27,29)
InChIKeyZOOBJKVJHXVCFM-UHFFFAOYSA-N
XLogP2.48
TPSA179.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.57
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of LGO?
The IUPAC name of LGO (CID 155811826) is 1-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for LGO?
The canonical SMILES for LGO is NS(=O)(=O)c1ccc(NC(=O)Nc2cnn(-c3ccc(S(N)(=O)=O)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of LGO?
The InChIKey is ZOOBJKVJHXVCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O5S2/c23-34(30,31)18-10-6-16(7-11-18)26-22(29)27-20-14-25-28(21(20)15-4-2-1-3-5-15)17-8-12-19(13-9-17)35(24,32)33/h1-14H,(H2,23,30,31)(H2,24,32,33)(H2,26,27,29).
What are the key properties of LGO?
LGO has a molecular weight of 512.57 g/mol, XLogP of 2.48, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for LGO is sourced from PubChem (CID 155811826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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