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

C20H26FN5O4S — CID 137404022

IUPAC3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1nnccc1C(=O)N(C)C
InChIInChI=1S/C20H26FN5O4S/c1-11(2)15-9-13(21)10-16(12(3)4)17(15)23-20(28)25-31(29,30)18-14(7-8-22-24-18)19(27)26(5)6/h7-12H,1-6H3,(H2,23,25,28)
InChIKeyWTTABOMTORRYOX-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.07
Rot. Bonds6

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

3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide (PubChem CID 137404022) has the molecular formula C20H26FN5O4S and a molecular weight of 451.52 g/mol. Its IUPAC name is 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide
PubChem CID137404022
Molecular FormulaC20H26FN5O4S
Molecular Weight451.52 g/mol
Exact Mass451.17
IUPAC Name3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1nnccc1C(=O)N(C)C
InChIInChI=1S/C20H26FN5O4S/c1-11(2)15-9-13(21)10-16(12(3)4)17(15)23-20(28)25-31(29,30)18-14(7-8-22-24-18)19(27)26(5)6/h7-12H,1-6H3,(H2,23,25,28)
InChIKeyWTTABOMTORRYOX-UHFFFAOYSA-N
XLogP3.07
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide with MolForge

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Related Compounds

1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(6-methoxypyridazin-3-yl)sulfonylurea
CID 137404026
1-(4-acetylpyridazin-3-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea;1-(4-acetylpyridazin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpyridazin-3-yl)sulfonylurea;tris(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-(4-methylpyridazin-3-yl)sulfonylurea)
CID 158258432
2-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 137404414
1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea
CID 155068943
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyridazine-4-carboxamide
CID 137404021
N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide
CID 155076509
sodium;1-[5-(azetidine-1-carbonyl)-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;hydride
CID 175013477
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(1-methylpiperidin-4-yl)sulfonylurea
CID 137404121
1-(4-acetylpiperazin-1-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea
CID 160593418
sodium;1-(4,5-diethyl-1-methylpyrazol-3-yl)sulfonyl-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;formamide;hydride
CID 175011213
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]sulfonylurea
CID 157149094
ethane;[4-fluoro-2,6-di(propan-2-yl)phenyl]urea;molecular hydrogen
CID 153396054

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide?
The IUPAC name of 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide (CID 137404022) is 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide?
The canonical SMILES for 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide is CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1nnccc1C(=O)N(C)C.
What is the InChIKey of 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide?
The InChIKey is WTTABOMTORRYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O4S/c1-11(2)15-9-13(21)10-16(12(3)4)17(15)23-20(28)25-31(29,30)18-14(7-8-22-24-18)19(27)26(5)6/h7-12H,1-6H3,(H2,23,25,28).
What are the key properties of 3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide?
3-[[4-fluoro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyridazine-4-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 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,N-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 137404022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).