1,3,5-trichloro-2-methylsulfonylbenzene

C7H5Cl3O2S — CID 5302365

IUPAC1,3,5-trichloro-2-methylsulfonylbenzene
SMILESCS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3O2S/c1-13(11,12)7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyNOSWATRCDIPOON-UHFFFAOYSA-N
MW259.54 g/mol
LogP3.05
Rot. Bonds1

About 1,3,5-trichloro-2-methylsulfonylbenzene

1,3,5-trichloro-2-methylsulfonylbenzene (PubChem CID 5302365) has the molecular formula C7H5Cl3O2S and a molecular weight of 259.54 g/mol. Its IUPAC name is 1,3,5-trichloro-2-methylsulfonylbenzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-methylsulfonylbenzene
PubChem CID5302365
Molecular FormulaC7H5Cl3O2S
Molecular Weight259.54 g/mol
Exact Mass257.91
IUPAC Name1,3,5-trichloro-2-methylsulfonylbenzene
SMILESCS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3O2S/c1-13(11,12)7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyNOSWATRCDIPOON-UHFFFAOYSA-N
XLogP3.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.54
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Chloro-4-(methylsulfonyl)benzene
CID 7395
4-Chlorophenyl methyl sulfoxide, (+-)-
CID 13626
2,6-Dichlorobenzenesulfonylchloride
CID 522183
Benzenesulfonyl chloride, 2,4-dichloro-
CID 204419
1-Chloro-4-(ethenylsulfonyl)benzene
CID 21703
1,2-Dichloro-4-methylsulfonylbenzene
CID 161963
2,4-Bis-(methylsulfonyl)-1-chlorobenzene
CID 609765
1-Chloro-4-(ethylsulfonyl)benzene
CID 81622
2,4-Dichlorobenzenesulfonamide
CID 2737447
2,4,6-Trichlorobenzenesulfonyl chloride
CID 521335
1-Chloro-2-methanesulfonylbenzene
CID 2757822
(4-Chlorophenylsulfonyl)(methylsulfonyl)methane
CID 321180

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-methylsulfonylbenzene?
The IUPAC name of 1,3,5-trichloro-2-methylsulfonylbenzene (CID 5302365) is 1,3,5-trichloro-2-methylsulfonylbenzene.
What is the SMILES notation for 1,3,5-trichloro-2-methylsulfonylbenzene?
The canonical SMILES for 1,3,5-trichloro-2-methylsulfonylbenzene is CS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1,3,5-trichloro-2-methylsulfonylbenzene?
The InChIKey is NOSWATRCDIPOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O2S/c1-13(11,12)7-5(9)2-4(8)3-6(7)10/h2-3H,1H3.
What are the key properties of 1,3,5-trichloro-2-methylsulfonylbenzene?
1,3,5-trichloro-2-methylsulfonylbenzene has a molecular weight of 259.54 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-methylsulfonylbenzene is sourced from PubChem (CID 5302365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).