2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone

C18H19ClN2O3S — CID 4048689

IUPAC2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)C2c2ccccc2)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-14-7-9-16(10-8-14)25(23,24)21-12-11-20(17(22)13-19)18(21)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3
InChIKeyBRZPAJKUGAZGJE-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.77
Rot. Bonds4

About 2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone

2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone (PubChem CID 4048689) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone
PubChem CID4048689
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)C2c2ccccc2)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-14-7-9-16(10-8-14)25(23,24)21-12-11-20(17(22)13-19)18(21)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3
InChIKeyBRZPAJKUGAZGJE-UHFFFAOYSA-N
XLogP2.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone (CID 4048689) is 2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)C2c2ccccc2)cc1.
What is the InChIKey of 2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone?
The InChIKey is BRZPAJKUGAZGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-14-7-9-16(10-8-14)25(23,24)21-12-11-20(17(22)13-19)18(21)15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3.
What are the key properties of 2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone?
2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone has a molecular weight of 378.88 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone is sourced from PubChem (CID 4048689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).