2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone

C19H21ClN2O3S — CID 17371182

IUPAC2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2CC(C)N(C(=O)CCl)C2c2ccccc2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-14-8-10-17(11-9-14)26(24,25)21-13-15(2)22(18(23)12-20)19(21)16-6-4-3-5-7-16/h3-11,15,19H,12-13H2,1-2H3
InChIKeyGQCWAUAKTBTAGZ-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.15
Rot. Bonds4

About 2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone

2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone (PubChem CID 17371182) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone
PubChem CID17371182
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2CC(C)N(C(=O)CCl)C2c2ccccc2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-14-8-10-17(11-9-14)26(24,25)21-13-15(2)22(18(23)12-20)19(21)16-6-4-3-5-7-16/h3-11,15,19H,12-13H2,1-2H3
InChIKeyGQCWAUAKTBTAGZ-UHFFFAOYSA-N
XLogP3.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.15
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-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone (CID 17371182) is 2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone is Cc1ccc(S(=O)(=O)N2CC(C)N(C(=O)CCl)C2c2ccccc2)cc1.
What is the InChIKey of 2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone?
The InChIKey is GQCWAUAKTBTAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-8-10-17(11-9-14)26(24,25)21-13-15(2)22(18(23)12-20)19(21)16-6-4-3-5-7-16/h3-11,15,19H,12-13H2,1-2H3.
What are the key properties of 2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone?
2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone has a molecular weight of 392.91 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone is sourced from PubChem (CID 17371182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).