1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene

C16H18O4S — CID 12592714

IUPAC1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
SMILESCCOc1ccc(S(=O)(=O)c2ccccc2OCC)cc1
InChIInChI=1S/C16H18O4S/c1-3-19-13-9-11-14(12-10-13)21(17,18)16-8-6-5-7-15(16)20-4-2/h5-12H,3-4H2,1-2H3
InChIKeyHRSFEXPPTAKGDM-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.32
Rot. Bonds6

About 1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene

1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene (PubChem CID 12592714) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
PubChem CID12592714
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
SMILESCCOc1ccc(S(=O)(=O)c2ccccc2OCC)cc1
InChIInChI=1S/C16H18O4S/c1-3-19-13-9-11-14(12-10-13)21(17,18)16-8-6-5-7-15(16)20-4-2/h5-12H,3-4H2,1-2H3
InChIKeyHRSFEXPPTAKGDM-UHFFFAOYSA-N
XLogP3.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
1-phenylmethoxy-2-[4-[[4-[[4-(2-phenylmethoxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylbenzene
CID 139826912
1-(2,2-dimethylpropoxy)-2-[4-[6-[4-[2-(2,2-dimethylpropoxy)phenyl]sulfonylphenoxy]hexoxy]phenyl]sulfonylbenzene
CID 139826939
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
2-ethoxybenzenesulfonic acid;hydrochloride
CID 174785322
4-(2-pentoxyphenyl)sulfonylphenol
CID 101144520
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2525429
4-[2-[[2-[[2-(4-hydroxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylphenol
CID 67163625
4-ethoxybenzenesulfonic acid
CID 7013020
1,2-bis[[2-[4-(1-phenylethoxy)phenyl]sulfonylphenoxy]methyl]benzene
CID 139826943

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene?
The IUPAC name of 1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene (CID 12592714) is 1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene.
What is the SMILES notation for 1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene?
The canonical SMILES for 1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene is CCOc1ccc(S(=O)(=O)c2ccccc2OCC)cc1.
What is the InChIKey of 1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene?
The InChIKey is HRSFEXPPTAKGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-3-19-13-9-11-14(12-10-13)21(17,18)16-8-6-5-7-15(16)20-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene?
1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene has a molecular weight of 306.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene is sourced from PubChem (CID 12592714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).