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

C15H18ClFN4O4S — CID 9117425

IUPAC1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N1CCNC1=O
InChIInChI=1S/C15H18ClFN4O4S/c16-12-9-11(1-2-13(12)17)26(24,25)20-7-5-19(6-8-20)10-14(22)21-4-3-18-15(21)23/h1-2,9H,3-8,10H2,(H,18,23)
InChIKeyLUHZGHUEDUPVNC-UHFFFAOYSA-N
MW404.85 g/mol
LogP0.34
Rot. Bonds4

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

1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one (PubChem CID 9117425) has the molecular formula C15H18ClFN4O4S and a molecular weight of 404.85 g/mol. Its IUPAC name is 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
PubChem CID9117425
Molecular FormulaC15H18ClFN4O4S
Molecular Weight404.85 g/mol
Exact Mass404.07
IUPAC Name1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N1CCNC1=O
InChIInChI=1S/C15H18ClFN4O4S/c16-12-9-11(1-2-13(12)17)26(24,25)20-7-5-19(6-8-20)10-14(22)21-4-3-18-15(21)23/h1-2,9H,3-8,10H2,(H,18,23)
InChIKeyLUHZGHUEDUPVNC-UHFFFAOYSA-N
XLogP0.34
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one (CID 9117425) is 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one is O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N1CCNC1=O.
What is the InChIKey of 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is LUHZGHUEDUPVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O4S/c16-12-9-11(1-2-13(12)17)26(24,25)20-7-5-19(6-8-20)10-14(22)21-4-3-18-15(21)23/h1-2,9H,3-8,10H2,(H,18,23).
What are the key properties of 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one?
1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 404.85 g/mol, XLogP of 0.34, 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]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9117425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).