(2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane

C9H8Cl2O3S — CID 130493441

IUPAC(2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane
SMILESO=S(=O)(C[C@@H]1CO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H8Cl2O3S/c10-6-1-2-8(11)9(3-6)15(12,13)5-7-4-14-7/h1-3,7H,4-5H2/t7-/m0/s1
InChIKeySKDYEHRKERVGDM-ZETCQYMHSA-N
MW267.13 g/mol
LogP2.17
Rot. Bonds3

About (2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane

(2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane (PubChem CID 130493441) has the molecular formula C9H8Cl2O3S and a molecular weight of 267.13 g/mol. Its IUPAC name is (2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane
PubChem CID130493441
Molecular FormulaC9H8Cl2O3S
Molecular Weight267.13 g/mol
Exact Mass265.96
IUPAC Name(2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane
SMILESO=S(=O)(C[C@@H]1CO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H8Cl2O3S/c10-6-1-2-8(11)9(3-6)15(12,13)5-7-4-14-7/h1-3,7H,4-5H2/t7-/m0/s1
InChIKeySKDYEHRKERVGDM-ZETCQYMHSA-N
XLogP2.17
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.17
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)-oxiran-2-yl]methyl 2,5-dichlorobenzenesulfonate
CID 131857575
(2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane
CID 130493433
2-(2,5-dichlorophenyl)sulfonylacetamide
CID 13344609
[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81218776
barium(2+);2,5-dichlorobenzenesulfonic acid;hydride
CID 173437131
CID 87064436
CID 87064436
4-chloro-3-[(4-methylmorpholin-2-yl)methylsulfonyl]aniline
CID 81201070
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
4-chloro-2-[(5,5-dimethyloxolan-2-yl)methylsulfonyl]aniline
CID 116525462
2-(2,5-dichlorophenyl)sulfonyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylethanamine
CID 27247276
1-(2,5-dichlorophenyl)sulfonylpentan-2-amine
CID 64639823
4-chloro-2-(cyclopropylmethylsulfonyl)aniline
CID 81181138

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane?
The IUPAC name of (2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane (CID 130493441) is (2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane.
What is the SMILES notation for (2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane?
The canonical SMILES for (2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane is O=S(=O)(C[C@@H]1CO1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane?
The InChIKey is SKDYEHRKERVGDM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8Cl2O3S/c10-6-1-2-8(11)9(3-6)15(12,13)5-7-4-14-7/h1-3,7H,4-5H2/t7-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane?
(2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane has a molecular weight of 267.13 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dichlorophenyl)sulfonylmethyl]oxirane is sourced from PubChem (CID 130493441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).