2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride

C10H13ClO4S2 — CID 82276085

IUPAC2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride
SMILESCc1cc(C)c(S(=O)(=O)Cl)c(C)c1S(C)(=O)=O
InChIInChI=1S/C10H13ClO4S2/c1-6-5-7(2)10(17(11,14)15)8(3)9(6)16(4,12)13/h5H,1-4H3
InChIKeyHVNAUOVXAPZYIV-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.94
Rot. Bonds2

About 2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride

2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride (PubChem CID 82276085) has the molecular formula C10H13ClO4S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride
PubChem CID82276085
Molecular FormulaC10H13ClO4S2
Molecular Weight296.80 g/mol
Exact Mass295.99
IUPAC Name2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride
SMILESCc1cc(C)c(S(=O)(=O)Cl)c(C)c1S(C)(=O)=O
InChIInChI=1S/C10H13ClO4S2/c1-6-5-7(2)10(17(11,14)15)8(3)9(6)16(4,12)13/h5H,1-4H3
InChIKeyHVNAUOVXAPZYIV-UHFFFAOYSA-N
XLogP1.94
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-formyl-2,4,6-trimethylbenzenesulfonyl chloride
CID 122216719
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
4-tert-butyl-2,6-dimethylbenzenesulfonyl chloride
CID 3868506
2,4,6-trimethylbenzene-1,3-disulfonic acid
CID 14040846
tert-butyl 3-chlorosulfonyl-2,4,6-trimethylbenzoate
CID 65397126
3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride
CID 84810118
3-chloro-2,6-dimethylbenzenesulfonyl chloride
CID 84701107
2,4-dibromo-6-methylbenzenesulfonyl chloride
CID 91678308
3-[cyclopropyl(methyl)carbamoyl]-2,4,6-trimethylbenzenesulfonyl chloride
CID 65371645
3-(2-fluoroethylcarbamoyl)-2,4,6-trimethylbenzenesulfonyl chloride
CID 114267172
6-chloro-2,3-dimethylbenzenesulfonyl chloride
CID 84701104
3-(3-methoxypropylcarbamoyl)-2,4,6-trimethylbenzenesulfonyl chloride
CID 65368259

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride?
The IUPAC name of 2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride (CID 82276085) is 2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride.
What is the SMILES notation for 2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride?
The canonical SMILES for 2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride is Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1S(C)(=O)=O.
What is the InChIKey of 2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride?
The InChIKey is HVNAUOVXAPZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO4S2/c1-6-5-7(2)10(17(11,14)15)8(3)9(6)16(4,12)13/h5H,1-4H3.
What are the key properties of 2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride?
2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride has a molecular weight of 296.80 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride is sourced from PubChem (CID 82276085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).