(2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane

C9H9ClO3S — CID 130493433

IUPAC(2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane
SMILESO=S(=O)(C[C@H]1CO1)c1ccccc1Cl
InChIInChI=1S/C9H9ClO3S/c10-8-3-1-2-4-9(8)14(11,12)6-7-5-13-7/h1-4,7H,5-6H2/t7-/m1/s1
InChIKeyCXZPPRMMKRBRLT-SSDOTTSWSA-N
MW232.69 g/mol
LogP1.51
Rot. Bonds3

About (2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane

(2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane (PubChem CID 130493433) has the molecular formula C9H9ClO3S and a molecular weight of 232.69 g/mol. Its IUPAC name is (2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane
PubChem CID130493433
Molecular FormulaC9H9ClO3S
Molecular Weight232.69 g/mol
Exact Mass232.00
IUPAC Name(2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane
SMILESO=S(=O)(C[C@H]1CO1)c1ccccc1Cl
InChIInChI=1S/C9H9ClO3S/c10-8-3-1-2-4-9(8)14(11,12)6-7-5-13-7/h1-4,7H,5-6H2/t7-/m1/s1
InChIKeyCXZPPRMMKRBRLT-SSDOTTSWSA-N
XLogP1.51
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane
CID 130493441
2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane
CID 106585555
2-(2-chlorophenyl)sulfonylacetamide
CID 13345372
2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone
CID 115736295
2-[(2-fluorophenyl)sulfonylmethyl]oxane
CID 64716675
N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride
CID 56978110
4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol
CID 139004687
oxiran-2-ylmethanesulfonic acid;toluene
CID 174811658
1-chloro-2-(nitromethylsulfonyl)benzene
CID 19875027
3-[(2-chlorophenyl)sulfonylmethyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 167714218
2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol
CID 106585088
2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid
CID 65442832

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane?
The IUPAC name of (2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane (CID 130493433) is (2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane.
What is the SMILES notation for (2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane?
The canonical SMILES for (2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane is O=S(=O)(C[C@H]1CO1)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane?
The InChIKey is CXZPPRMMKRBRLT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9ClO3S/c10-8-3-1-2-4-9(8)14(11,12)6-7-5-13-7/h1-4,7H,5-6H2/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane?
(2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane has a molecular weight of 232.69 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane is sourced from PubChem (CID 130493433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).