4-(2-methylbutan-2-yl)benzenesulfonyl chloride

C11H15ClO2S — CID 22281976

IUPAC4-(2-methylbutan-2-yl)benzenesulfonyl chloride
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO2S/c1-4-11(2,3)9-5-7-10(8-6-9)15(12,13)14/h5-8H,4H2,1-3H3
InChIKeyWLBQFZZPRWQTGR-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.30
Rot. Bonds3

About 4-(2-methylbutan-2-yl)benzenesulfonyl chloride

4-(2-methylbutan-2-yl)benzenesulfonyl chloride (PubChem CID 22281976) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)benzenesulfonyl chloride
PubChem CID22281976
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name4-(2-methylbutan-2-yl)benzenesulfonyl chloride
SMILESCCC(C)(C)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO2S/c1-4-11(2,3)9-5-7-10(8-6-9)15(12,13)14/h5-8H,4H2,1-3H3
InChIKeyWLBQFZZPRWQTGR-UHFFFAOYSA-N
XLogP3.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)benzenesulfonyl chloride?
The IUPAC name of 4-(2-methylbutan-2-yl)benzenesulfonyl chloride (CID 22281976) is 4-(2-methylbutan-2-yl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2-methylbutan-2-yl)benzenesulfonyl chloride?
The canonical SMILES for 4-(2-methylbutan-2-yl)benzenesulfonyl chloride is CCC(C)(C)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(2-methylbutan-2-yl)benzenesulfonyl chloride?
The InChIKey is WLBQFZZPRWQTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2S/c1-4-11(2,3)9-5-7-10(8-6-9)15(12,13)14/h5-8H,4H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)benzenesulfonyl chloride?
4-(2-methylbutan-2-yl)benzenesulfonyl chloride has a molecular weight of 246.76 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)benzenesulfonyl chloride is sourced from PubChem (CID 22281976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).