1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea

C17H21FN4O3S — CID 137404025

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccc(F)nn1
InChIInChI=1S/C17H21FN4O3S/c1-10(2)12-6-5-7-13(11(3)4)16(12)19-17(23)22-26(24,25)15-9-8-14(18)20-21-15/h5-11H,1-4H3,(H2,19,22,23)
InChIKeySLOBXYVYUPSHSA-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.37
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea

1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea (PubChem CID 137404025) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea
PubChem CID137404025
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccc(F)nn1
InChIInChI=1S/C17H21FN4O3S/c1-10(2)12-6-5-7-13(11(3)4)16(12)19-17(23)22-26(24,25)15-9-8-14(18)20-21-15/h5-11H,1-4H3,(H2,19,22,23)
InChIKeySLOBXYVYUPSHSA-UHFFFAOYSA-N
XLogP3.37
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea (CID 137404025) is 1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccc(F)nn1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea?
The InChIKey is SLOBXYVYUPSHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-10(2)12-6-5-7-13(11(3)4)16(12)19-17(23)22-26(24,25)15-9-8-14(18)20-21-15/h5-11H,1-4H3,(H2,19,22,23).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea?
1-[2,6-di(propan-2-yl)phenyl]-3-(6-fluoropyridazin-3-yl)sulfonylurea has a molecular weight of 380.45 g/mol, XLogP of 3.37, 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-(6-fluoropyridazin-3-yl)sulfonylurea is sourced from PubChem (CID 137404025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).