1-(benzenesulfonyl)-4-ethoxybenzene

C14H14O3S — CID 12563171

IUPAC1-(benzenesulfonyl)-4-ethoxybenzene
SMILESCCOc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H14O3S/c1-2-17-12-8-10-14(11-9-12)18(15,16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyLRKKSZHNXTZRSV-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.92
Rot. Bonds4

About 1-(benzenesulfonyl)-4-ethoxybenzene

1-(benzenesulfonyl)-4-ethoxybenzene (PubChem CID 12563171) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-ethoxybenzene
PubChem CID12563171
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name1-(benzenesulfonyl)-4-ethoxybenzene
SMILESCCOc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H14O3S/c1-2-17-12-8-10-14(11-9-12)18(15,16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyLRKKSZHNXTZRSV-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
CID 12592714
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine
CID 95483159
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
benzene;1-(4-ethoxyphenyl)sulfonyl-4-methylbenzene;[4-(4-ethoxyphenyl)sulfonylphenyl] methyl carbonate
CID 159893147
4-[4-[7-[4-(4-ethoxyphenyl)sulfonylphenoxy]heptoxy]phenyl]sulfonylphenol
CID 139963527
N-[3-[4-(benzenesulfonyl)phenoxy]propyl]-N-butylbutan-1-amine
CID 19759163
4-ethoxybenzenesulfonic acid
CID 7013020
1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
CID 925876
N-(benzenesulfonyl)-N-[(4-ethoxyphenyl)sulfanylmethyl]benzenesulfonamide
CID 132509355
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
CID 110518664

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-ethoxybenzene?
The IUPAC name of 1-(benzenesulfonyl)-4-ethoxybenzene (CID 12563171) is 1-(benzenesulfonyl)-4-ethoxybenzene.
What is the SMILES notation for 1-(benzenesulfonyl)-4-ethoxybenzene?
The canonical SMILES for 1-(benzenesulfonyl)-4-ethoxybenzene is CCOc1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-ethoxybenzene?
The InChIKey is LRKKSZHNXTZRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-2-17-12-8-10-14(11-9-12)18(15,16)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-ethoxybenzene?
1-(benzenesulfonyl)-4-ethoxybenzene has a molecular weight of 262.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-ethoxybenzene is sourced from PubChem (CID 12563171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).