1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one

C16H20ClFN4O4S — CID 45352776

IUPAC1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
SMILESCC(C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C16H20ClFN4O4S/c1-11(15(23)22-5-4-19-16(22)24)20-6-8-21(9-7-20)27(25,26)12-2-3-14(18)13(17)10-12/h2-3,10-11H,4-9H2,1H3,(H,19,24)
InChIKeyXBEGJCUUSLDWRJ-UHFFFAOYSA-N
MW418.88 g/mol
LogP0.73
Rot. Bonds4

About 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one

1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one (PubChem CID 45352776) has the molecular formula C16H20ClFN4O4S and a molecular weight of 418.88 g/mol. Its IUPAC name is 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
PubChem CID45352776
Molecular FormulaC16H20ClFN4O4S
Molecular Weight418.88 g/mol
Exact Mass418.09
IUPAC Name1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
SMILESCC(C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C16H20ClFN4O4S/c1-11(15(23)22-5-4-19-16(22)24)20-6-8-21(9-7-20)27(25,26)12-2-3-14(18)13(17)10-12/h2-3,10-11H,4-9H2,1H3,(H,19,24)
InChIKeyXBEGJCUUSLDWRJ-UHFFFAOYSA-N
XLogP0.73
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45351245
1-[(2R)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanoyl]imidazolidin-2-one
CID 8692349
1-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45352676
1-[(2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 8787917
(2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8710856
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 9349006
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
(2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 8512523
(2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 8743851
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 31814418
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 55354654
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9349024

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one (CID 45352776) is 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one is CC(C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
The InChIKey is XBEGJCUUSLDWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN4O4S/c1-11(15(23)22-5-4-19-16(22)24)20-6-8-21(9-7-20)27(25,26)12-2-3-14(18)13(17)10-12/h2-3,10-11H,4-9H2,1H3,(H,19,24).
What are the key properties of 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one?
1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one has a molecular weight of 418.88 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 45352776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).