1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea

C17H22N4O3S — CID 155068943

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccnn1
InChIInChI=1S/C17H22N4O3S/c1-11(2)13-7-5-8-14(12(3)4)16(13)19-17(22)21-25(23,24)15-9-6-10-18-20-15/h5-12H,1-4H3,(H2,19,21,22)
InChIKeyGEODDKFUHHCRNZ-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.23
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea

1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea (PubChem CID 155068943) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea
PubChem CID155068943
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccnn1
InChIInChI=1S/C17H22N4O3S/c1-11(2)13-7-5-8-14(12(3)4)16(13)19-17(22)21-25(23,24)15-9-6-10-18-20-15/h5-12H,1-4H3,(H2,19,21,22)
InChIKeyGEODDKFUHHCRNZ-UHFFFAOYSA-N
XLogP3.23
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 175753187
CID 175753187
1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10711308
1-[2,6-di(propan-2-yl)phenyl]-3-[6-(methylamino)pyrimidin-4-yl]sulfonylurea
CID 155076518
1-[2,6-di(propan-2-yl)phenyl]-3-(5-methylpyrimidin-2-yl)sulfonylurea
CID 137404425
1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 137404390
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[5-(dimethylamino)pyrimidin-2-yl]sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 137404422
1-(2,4-dimethylpyrimidin-5-yl)sulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 155076568
1-[2,6-di(propan-2-yl)phenyl]-3-(5-phenylpyrimidin-2-yl)sulfonylurea
CID 137403389
3-[[2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-diethyl-1-methylpyrazole-5-carboxamide
CID 137499531
1-[2,6-di(propan-2-yl)phenyl]-3-(3-formylphenyl)sulfonylurea
CID 18461733
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(6-methoxypyridazin-3-yl)sulfonylurea
CID 137404026

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea (CID 155068943) is 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccnn1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea?
The InChIKey is GEODDKFUHHCRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11(2)13-7-5-8-14(12(3)4)16(13)19-17(22)21-25(23,24)15-9-6-10-18-20-15/h5-12H,1-4H3,(H2,19,21,22).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea?
1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea has a molecular weight of 362.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-pyridazin-3-ylsulfonylurea is sourced from PubChem (CID 155068943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).