1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene

C20H18O3S — CID 59330915

IUPAC1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene
SMILESCc1ccc(C)c(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H18O3S/c1-15-8-9-16(2)20(14-15)24(21,22)19-12-10-18(11-13-19)23-17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyBFUKIWSNDJQLMF-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.93
Rot. Bonds4

About 1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene

1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene (PubChem CID 59330915) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene
PubChem CID59330915
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene
SMILESCc1ccc(C)c(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H18O3S/c1-15-8-9-16(2)20(14-15)24(21,22)19-12-10-18(11-13-19)23-17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyBFUKIWSNDJQLMF-UHFFFAOYSA-N
XLogP4.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
4-[5-methyl-2-(4-methyl-2-phenoxyphenyl)phenoxy]benzenesulfonic acid
CID 164811242
5-(benzenesulfonyl)-2-[4-(benzenesulfonyl)phenoxy]-1,3-dimethylbenzene
CID 139724883
[4-[4-[4-[4-[4-[4-(2,5-dimethylbenzoyl)phenoxy]phenoxy]phenyl]sulfonylphenoxy]phenoxy]phenyl]-(2,5-dimethylphenyl)methanone
CID 118474115
1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene
CID 118474119
4-methyl-3-(4-methylphenyl)sulfonylbenzenesulfonyl chloride
CID 54521473
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
[bis(4-methylphenyl)-(4-phenoxyphenyl)-λ4-sulfanyl] methanesulfonate
CID 57050758
5-methyl-2-phenoxybenzenesulfonic acid
CID 150904411
1-methyl-4-phenoxy-2-propylsulfonylbenzene
CID 71398768

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene?
The IUPAC name of 1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene (CID 59330915) is 1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene.
What is the SMILES notation for 1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene?
The canonical SMILES for 1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene is Cc1ccc(C)c(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene?
The InChIKey is BFUKIWSNDJQLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3S/c1-15-8-9-16(2)20(14-15)24(21,22)19-12-10-18(11-13-19)23-17-6-4-3-5-7-17/h3-14H,1-2H3.
What are the key properties of 1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene?
1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene has a molecular weight of 338.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene is sourced from PubChem (CID 59330915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).