1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea

C17H24FN3O4S — CID 137402958

IUPAC1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCC(=O)N1
InChIInChI=1S/C17H24FN3O4S/c1-9(2)12-7-11(18)8-13(10(3)4)16(12)20-17(23)21-26(24,25)15-6-5-14(22)19-15/h7-10,15H,5-6H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyKRAMGVHDGFYLSX-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.76
Rot. Bonds5

About 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea

1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea (PubChem CID 137402958) has the molecular formula C17H24FN3O4S and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea
PubChem CID137402958
Molecular FormulaC17H24FN3O4S
Molecular Weight385.46 g/mol
Exact Mass385.15
IUPAC Name1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCC(=O)N1
InChIInChI=1S/C17H24FN3O4S/c1-9(2)12-7-11(18)8-13(10(3)4)16(12)20-17(23)21-26(24,25)15-6-5-14(22)19-15/h7-10,15H,5-6H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyKRAMGVHDGFYLSX-UHFFFAOYSA-N
XLogP2.76
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea?
The IUPAC name of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea (CID 137402958) is 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea.
What is the SMILES notation for 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea?
The canonical SMILES for 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea is CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)C1CCC(=O)N1.
What is the InChIKey of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea?
The InChIKey is KRAMGVHDGFYLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O4S/c1-9(2)12-7-11(18)8-13(10(3)4)16(12)20-17(23)21-26(24,25)15-6-5-14(22)19-15/h7-10,15H,5-6H2,1-4H3,(H,19,22)(H2,20,21,23).
What are the key properties of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea?
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea has a molecular weight of 385.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-(5-oxopyrrolidin-2-yl)sulfonylurea is sourced from PubChem (CID 137402958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).