2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane

C17H18O3S2 — CID 44513270

IUPAC2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane
SMILESCC(C)(C1CS1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O3S2/c1-17(2,16-12-21-16)22(18,19)15-10-8-14(9-11-15)20-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3
InChIKeyRNMCKVPFRDEDQD-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.15
Rot. Bonds5

About 2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane

2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane (PubChem CID 44513270) has the molecular formula C17H18O3S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane.

Molecular Properties

Compound Name2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane
PubChem CID44513270
Molecular FormulaC17H18O3S2
Molecular Weight334.46 g/mol
Exact Mass334.07
IUPAC Name2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane
SMILESCC(C)(C1CS1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O3S2/c1-17(2,16-12-21-16)22(18,19)15-10-8-14(9-11-15)20-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3
InChIKeyRNMCKVPFRDEDQD-UHFFFAOYSA-N
XLogP4.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-(4-phenoxyphenyl)sulfonylpropanamide
CID 154454459
2,2-difluoro-2-(4-phenoxyphenyl)sulfonyl-1-phenylethanol
CID 19804777
1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 155030070
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
phenoxybenzene;propane-2,2-diol
CID 174556232
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
(3-phenoxyphenyl) sulfate
CID 59815390
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
2-[2-methylsulfonyl-3-(4-phenoxyphenyl)propyl]thiirane
CID 15942100
4-methylsulfonyl-1-(4-phenoxyphenyl)sulfonylpiperidine
CID 90586579
3-[4-(trifluoromethylsulfonyl)phenoxy]aniline
CID 61027960
1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene
CID 59330915

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane?
The IUPAC name of 2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane (CID 44513270) is 2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane.
What is the SMILES notation for 2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane?
The canonical SMILES for 2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane is CC(C)(C1CS1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane?
The InChIKey is RNMCKVPFRDEDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S2/c1-17(2,16-12-21-16)22(18,19)15-10-8-14(9-11-15)20-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3.
What are the key properties of 2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane?
2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane has a molecular weight of 334.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane is sourced from PubChem (CID 44513270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).