6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide

C18H19N5O4S — CID 137403461

IUPAC6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1
InChIInChI=1S/C18H19N5O4S/c19-17(24)14-7-8-15(22-21-14)28(26,27)23-18(25)20-16-12-5-1-3-10(12)9-11-4-2-6-13(11)16/h7-9H,1-6H2,(H2,19,24)(H2,20,23,25)
InChIKeyUTHYODSLOOJJKV-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.06
Rot. Bonds4

About 6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide

6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide (PubChem CID 137403461) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is 6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide
PubChem CID137403461
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1
InChIInChI=1S/C18H19N5O4S/c19-17(24)14-7-8-15(22-21-14)28(26,27)23-18(25)20-16-12-5-1-3-10(12)9-11-4-2-6-13(11)16/h7-9H,1-6H2,(H2,19,24)(H2,20,23,25)
InChIKeyUTHYODSLOOJJKV-UHFFFAOYSA-N
XLogP1.06
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide (CID 137403461) is 6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide is NC(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1.
What is the InChIKey of 6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide?
The InChIKey is UTHYODSLOOJJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c19-17(24)14-7-8-15(22-21-14)28(26,27)23-18(25)20-16-12-5-1-3-10(12)9-11-4-2-6-13(11)16/h7-9H,1-6H2,(H2,19,24)(H2,20,23,25).
What are the key properties of 6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide?
6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide is sourced from PubChem (CID 137403461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).