1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene

C16H16Cl2O2S — CID 91456082

IUPAC1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene
SMILESCc1ccccc1S(=O)(=O)c1c(C)c(C)c(C)c(Cl)c1Cl
InChIInChI=1S/C16H16Cl2O2S/c1-9-7-5-6-8-13(9)21(19,20)16-12(4)10(2)11(3)14(17)15(16)18/h5-8H,1-4H3
InChIKeyDHTSBVCQYZTYEZ-UHFFFAOYSA-N
MW343.28 g/mol
LogP5.06
Rot. Bonds2

About 1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene

1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene (PubChem CID 91456082) has the molecular formula C16H16Cl2O2S and a molecular weight of 343.28 g/mol. Its IUPAC name is 1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene
PubChem CID91456082
Molecular FormulaC16H16Cl2O2S
Molecular Weight343.28 g/mol
Exact Mass342.02
IUPAC Name1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene
SMILESCc1ccccc1S(=O)(=O)c1c(C)c(C)c(C)c(Cl)c1Cl
InChIInChI=1S/C16H16Cl2O2S/c1-9-7-5-6-8-13(9)21(19,20)16-12(4)10(2)11(3)14(17)15(16)18/h5-8H,1-4H3
InChIKeyDHTSBVCQYZTYEZ-UHFFFAOYSA-N
XLogP5.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.28
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(2-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301646
3,5-dimethyl-1,4-bis[(2-methylphenyl)sulfonyl]pyrazole
CID 135066481
4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1H-pyridin-2-one
CID 4577671
2-methylbenzenesulfonamide
CID 6924
2-methylbenzenesulfonic acid
CID 6925
1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene
CID 23312101
2-(2-hydroxyphenyl)sulfonyl-3-methylphenol
CID 101301572
2-methylbenzenesulfonic acid;hydroiodide
CID 173271723
2-methylbenzenesulfonic acid;nickel
CID 174250296
ethane;2-methylbenzenesulfonic acid
CID 54049338
1-methyl-2-methylsulfonylbenzene;prop-1-ene
CID 142083462
sodium N-chloro-2-methylbenzenesulfonamide
CID 23619818

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene?
The IUPAC name of 1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene (CID 91456082) is 1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene?
The canonical SMILES for 1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene is Cc1ccccc1S(=O)(=O)c1c(C)c(C)c(C)c(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene?
The InChIKey is DHTSBVCQYZTYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2S/c1-9-7-5-6-8-13(9)21(19,20)16-12(4)10(2)11(3)14(17)15(16)18/h5-8H,1-4H3.
What are the key properties of 1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene?
1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene has a molecular weight of 343.28 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3,4,5-trimethyl-6-(2-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 91456082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).