[3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

C14H18ClN3O4S — CID 6498821

IUPAC[3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClN3O4S/c15-12-1-3-13(4-2-12)23(20,21)18-6-5-17(11-18)14(19)16-7-9-22-10-8-16/h1-4H,5-11H2
InChIKeyZFLYACGIVMBZTI-UHFFFAOYSA-N
MW359.84 g/mol
LogP1.06
Rot. Bonds2

About [3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

[3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 6498821) has the molecular formula C14H18ClN3O4S and a molecular weight of 359.84 g/mol. Its IUPAC name is [3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID6498821
Molecular FormulaC14H18ClN3O4S
Molecular Weight359.84 g/mol
Exact Mass359.07
IUPAC Name[3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClN3O4S/c15-12-1-3-13(4-2-12)23(20,21)18-6-5-17(11-18)14(19)16-7-9-22-10-8-16/h1-4H,5-11H2
InChIKeyZFLYACGIVMBZTI-UHFFFAOYSA-N
XLogP1.06
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 6498821) is [3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is ZFLYACGIVMBZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4S/c15-12-1-3-13(4-2-12)23(20,21)18-6-5-17(11-18)14(19)16-7-9-22-10-8-16/h1-4H,5-11H2.
What are the key properties of [3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 359.84 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6498821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).