1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene

C15H16O2S — CID 621374

IUPAC1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2c(C)cccc2C)cc1
InChIInChI=1S/C15H16O2S/c1-11-7-9-14(10-8-11)18(16,17)15-12(2)5-4-6-13(15)3/h4-10H,1-3H3
InChIKeyWROJLYUDVDTSPK-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.44
Rot. Bonds2

About 1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene

1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene (PubChem CID 621374) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene
PubChem CID621374
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2c(C)cccc2C)cc1
InChIInChI=1S/C15H16O2S/c1-11-7-9-14(10-8-11)18(16,17)15-12(2)5-4-6-13(15)3/h4-10H,1-3H3
InChIKeyWROJLYUDVDTSPK-UHFFFAOYSA-N
XLogP3.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

SC-57666
CID 443373
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
2-Mesitylenesulfonyl chloride
CID 13046
2,4-Dimethylbenzenesulfonic acid
CID 6938
Sodium m-xylene-4-sulfonate
CID 23677979
Dibenzothiophene sulfone
CID 13908
Sulfone, allyl p-tolyl
CID 96276
Ammonium Xylenesulfonate
CID 33512
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene?
The IUPAC name of 1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene (CID 621374) is 1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene?
The canonical SMILES for 1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene is Cc1ccc(S(=O)(=O)c2c(C)cccc2C)cc1.
What is the InChIKey of 1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene?
The InChIKey is WROJLYUDVDTSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-11-7-9-14(10-8-11)18(16,17)15-12(2)5-4-6-13(15)3/h4-10H,1-3H3.
What are the key properties of 1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene?
1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene has a molecular weight of 260.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(4-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 621374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).