N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide

C15H22FN3O3S — CID 71784670

IUPACN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(Cc1cccc(F)c1)N1CCNC1=O
InChIInChI=1S/C15H22FN3O3S/c1-11(2)23(21,22)18-10-14(19-7-6-17-15(19)20)9-12-4-3-5-13(16)8-12/h3-5,8,11,14,18H,6-7,9-10H2,1-2H3,(H,17,20)
InChIKeyGEGROWMTFBOFRB-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.09
Rot. Bonds7

About N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide

N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide (PubChem CID 71784670) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide
PubChem CID71784670
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(Cc1cccc(F)c1)N1CCNC1=O
InChIInChI=1S/C15H22FN3O3S/c1-11(2)23(21,22)18-10-14(19-7-6-17-15(19)20)9-12-4-3-5-13(16)8-12/h3-5,8,11,14,18H,6-7,9-10H2,1-2H3,(H,17,20)
InChIKeyGEGROWMTFBOFRB-UHFFFAOYSA-N
XLogP1.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide (CID 71784670) is N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC(Cc1cccc(F)c1)N1CCNC1=O.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide?
The InChIKey is GEGROWMTFBOFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c1-11(2)23(21,22)18-10-14(19-7-6-17-15(19)20)9-12-4-3-5-13(16)8-12/h3-5,8,11,14,18H,6-7,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide?
N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide has a molecular weight of 343.42 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 71784670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).