1-ethylsulfonyl-2-phenoxybenzene

C14H14O3S — CID 122651417

IUPAC1-ethylsulfonyl-2-phenoxybenzene
SMILESCCS(=O)(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C14H14O3S/c1-2-18(15,16)14-11-7-6-10-13(14)17-12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyYKRDCSCBWSUYKJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.27
Rot. Bonds4

About 1-ethylsulfonyl-2-phenoxybenzene

1-ethylsulfonyl-2-phenoxybenzene (PubChem CID 122651417) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-ethylsulfonyl-2-phenoxybenzene.

Molecular Properties

Compound Name1-ethylsulfonyl-2-phenoxybenzene
PubChem CID122651417
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name1-ethylsulfonyl-2-phenoxybenzene
SMILESCCS(=O)(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C14H14O3S/c1-2-18(15,16)14-11-7-6-10-13(14)17-12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyYKRDCSCBWSUYKJ-UHFFFAOYSA-N
XLogP3.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylsulfonylphenoxy)benzoic acid
CID 61395540
1-ethylsulfonyl-2-methoxybenzene
CID 12920561
azane;2-phenoxybenzenesulfonic acid
CID 173031156
2-(2-ethylsulfonylphenoxy)acetic acid
CID 114335185
(2-ethylsulfonylphenyl) benzoate
CID 174700811
N,2-dihydroxy-3,3-dimethyl-4-(2-phenoxyphenyl)sulfonylbutanamide
CID 18406828
3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine
CID 133428386
N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119813180
(2-ethylsulfonylphenyl) 2-methylbenzenesulfonate
CID 91228094
2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride
CID 119340507
1-ethylsulfonyl-2-pentoxybenzene;pentane
CID 174761718
N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119813191

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-2-phenoxybenzene?
The IUPAC name of 1-ethylsulfonyl-2-phenoxybenzene (CID 122651417) is 1-ethylsulfonyl-2-phenoxybenzene.
What is the SMILES notation for 1-ethylsulfonyl-2-phenoxybenzene?
The canonical SMILES for 1-ethylsulfonyl-2-phenoxybenzene is CCS(=O)(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of 1-ethylsulfonyl-2-phenoxybenzene?
The InChIKey is YKRDCSCBWSUYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-2-18(15,16)14-11-7-6-10-13(14)17-12-8-4-3-5-9-12/h3-11H,2H2,1H3.
What are the key properties of 1-ethylsulfonyl-2-phenoxybenzene?
1-ethylsulfonyl-2-phenoxybenzene has a molecular weight of 262.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-2-phenoxybenzene is sourced from PubChem (CID 122651417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).