[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride

C11H13ClN2O3S — CID 117466479

IUPAC[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride
SMILESCN1CCN(c2ccc(CS(=O)(=O)Cl)cc2)C1=O
InChIInChI=1S/C11H13ClN2O3S/c1-13-6-7-14(11(13)15)10-4-2-9(3-5-10)8-18(12,16)17/h2-5H,6-8H2,1H3
InChIKeyVAWGDWUATQAGRX-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.63
Rot. Bonds3

About [4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride

[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride (PubChem CID 117466479) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is [4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride
PubChem CID117466479
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride
SMILESCN1CCN(c2ccc(CS(=O)(=O)Cl)cc2)C1=O
InChIInChI=1S/C11H13ClN2O3S/c1-13-6-7-14(11(13)15)10-4-2-9(3-5-10)8-18(12,16)17/h2-5H,6-8H2,1H3
InChIKeyVAWGDWUATQAGRX-UHFFFAOYSA-N
XLogP1.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride?
The IUPAC name of [4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride (CID 117466479) is [4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride is CN1CCN(c2ccc(CS(=O)(=O)Cl)cc2)C1=O.
What is the InChIKey of [4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride?
The InChIKey is VAWGDWUATQAGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-13-6-7-14(11(13)15)10-4-2-9(3-5-10)8-18(12,16)17/h2-5H,6-8H2,1H3.
What are the key properties of [4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride?
[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride has a molecular weight of 288.76 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117466479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).