3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide

C19H24FN5O4S — CID 137404009

IUPAC3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide
SMILESCNC(=O)c1ccnnc1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(F)cc1C(C)C
InChIInChI=1S/C19H24FN5O4S/c1-10(2)14-8-12(20)9-15(11(3)4)16(14)23-19(27)25-30(28,29)18-13(17(26)21-5)6-7-22-24-18/h6-11H,1-5H3,(H,21,26)(H2,23,25,27)
InChIKeyVRKKNXKOYHLPFN-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.73
Rot. Bonds6

About 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide

3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide (PubChem CID 137404009) has the molecular formula C19H24FN5O4S and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide
PubChem CID137404009
Molecular FormulaC19H24FN5O4S
Molecular Weight437.50 g/mol
Exact Mass437.15
IUPAC Name3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide
SMILESCNC(=O)c1ccnnc1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(F)cc1C(C)C
InChIInChI=1S/C19H24FN5O4S/c1-10(2)14-8-12(20)9-15(11(3)4)16(14)23-19(27)25-30(28,29)18-13(17(26)21-5)6-7-22-24-18/h6-11H,1-5H3,(H,21,26)(H2,23,25,27)
InChIKeyVRKKNXKOYHLPFN-UHFFFAOYSA-N
XLogP2.73
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide?
The IUPAC name of 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide (CID 137404009) is 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide?
The canonical SMILES for 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide is CNC(=O)c1ccnnc1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(F)cc1C(C)C.
What is the InChIKey of 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide?
The InChIKey is VRKKNXKOYHLPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O4S/c1-10(2)14-8-12(20)9-15(11(3)4)16(14)23-19(27)25-30(28,29)18-13(17(26)21-5)6-7-22-24-18/h6-11H,1-5H3,(H,21,26)(H2,23,25,27).
What are the key properties of 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide?
3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 137404009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).