1-(benzenesulfonyl)-4-(phenoxymethyl)benzene

C19H16O3S — CID 925876

IUPAC1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
SMILESO=S(=O)(c1ccccc1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H16O3S/c20-23(21,18-9-5-2-6-10-18)19-13-11-16(12-14-19)15-22-17-7-3-1-4-8-17/h1-14H,15H2
InChIKeyXCPPWXJUJWOFOF-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.10
Rot. Bonds5

About 1-(benzenesulfonyl)-4-(phenoxymethyl)benzene

1-(benzenesulfonyl)-4-(phenoxymethyl)benzene (PubChem CID 925876) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
PubChem CID925876
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
SMILESO=S(=O)(c1ccccc1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H16O3S/c20-23(21,18-9-5-2-6-10-18)19-13-11-16(12-14-19)15-22-17-7-3-1-4-8-17/h1-14H,15H2
InChIKeyXCPPWXJUJWOFOF-UHFFFAOYSA-N
XLogP4.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-[(4-tert-butylphenoxy)methyl]benzene
CID 2948852
1,3-bis[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]benzene
CID 139826967
1-(4-phenylmethoxyphenyl)sulfonyl-4-[2-[2-[2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 139826974
1-phenylmethoxy-2-[4-[[4-[[4-(2-phenylmethoxyphenyl)sulfonylphenoxy]methyl]phenyl]methoxy]phenyl]sulfonylbenzene
CID 139826912
phenoxymethylbenzene;sulfuric acid
CID 68982967
2-(4-phenylmethoxyphenyl)sulfonylphenol
CID 14178379
1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene
CID 176847126
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629
(4-phenylmethoxyphenyl) benzenesulfonate
CID 7227856
3,3-dimethyl-1-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]butan-2-one
CID 22360149
[4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite
CID 172699258

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(phenoxymethyl)benzene?
The IUPAC name of 1-(benzenesulfonyl)-4-(phenoxymethyl)benzene (CID 925876) is 1-(benzenesulfonyl)-4-(phenoxymethyl)benzene.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(phenoxymethyl)benzene?
The canonical SMILES for 1-(benzenesulfonyl)-4-(phenoxymethyl)benzene is O=S(=O)(c1ccccc1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(phenoxymethyl)benzene?
The InChIKey is XCPPWXJUJWOFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c20-23(21,18-9-5-2-6-10-18)19-13-11-16(12-14-19)15-22-17-7-3-1-4-8-17/h1-14H,15H2.
What are the key properties of 1-(benzenesulfonyl)-4-(phenoxymethyl)benzene?
1-(benzenesulfonyl)-4-(phenoxymethyl)benzene has a molecular weight of 324.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(phenoxymethyl)benzene is sourced from PubChem (CID 925876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).