1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene

C20H18O3S — CID 101481324

IUPAC1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18O3S/c1-23-18-14-12-17(13-15-18)20(16-8-4-2-5-9-16)24(21,22)19-10-6-3-7-11-19/h2-15,20H,1H3
InChIKeyBYPIFCXMUJLHSG-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.26
Rot. Bonds5

About 1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene

1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene (PubChem CID 101481324) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene
PubChem CID101481324
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18O3S/c1-23-18-14-12-17(13-15-18)20(16-8-4-2-5-9-16)24(21,22)19-10-6-3-7-11-19/h2-15,20H,1H3
InChIKeyBYPIFCXMUJLHSG-UHFFFAOYSA-N
XLogP4.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(phenyl)methyl]-5-methoxyphenol
CID 132917189
1-[(E)-1-(benzenesulfonyl)but-2-enyl]-4-methoxybenzene
CID 44605390
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
(2S,3R)-4,4-bis(benzenesulfonyl)-3-(4-methoxyphenyl)-2-methylbutan-1-ol
CID 102028108
3-(benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 3135155
1-[1,1-bis(benzenesulfonyl)-3-nitropropan-2-yl]-4-methoxybenzene
CID 139257025
1-methoxy-4-(2-nitro-1-phenylethyl)sulfonylbenzene
CID 15312289
1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene
CID 25242109
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142

Frequently Asked Questions

What is the IUPAC name of 1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene?
The IUPAC name of 1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene (CID 101481324) is 1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene is COc1ccc(C(c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene?
The InChIKey is BYPIFCXMUJLHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3S/c1-23-18-14-12-17(13-15-18)20(16-8-4-2-5-9-16)24(21,22)19-10-6-3-7-11-19/h2-15,20H,1H3.
What are the key properties of 1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene?
1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene has a molecular weight of 338.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene is sourced from PubChem (CID 101481324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).