(4-tert-butylphenyl)methanesulfonyl chloride

C11H15ClO2S — CID 2794645

IUPAC(4-tert-butylphenyl)methanesulfonyl chloride
SMILESCC(C)(C)c1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO2S/c1-11(2,3)10-6-4-9(5-7-10)8-15(12,13)14/h4-7H,8H2,1-3H3
InChIKeyNEJDUPGGBSPJLG-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.05
Rot. Bonds2

About (4-tert-butylphenyl)methanesulfonyl chloride

(4-tert-butylphenyl)methanesulfonyl chloride (PubChem CID 2794645) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is (4-tert-butylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-tert-butylphenyl)methanesulfonyl chloride
PubChem CID2794645
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name(4-tert-butylphenyl)methanesulfonyl chloride
SMILESCC(C)(C)c1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO2S/c1-11(2,3)10-6-4-9(5-7-10)8-15(12,13)14/h4-7H,8H2,1-3H3
InChIKeyNEJDUPGGBSPJLG-UHFFFAOYSA-N
XLogP3.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methanesulfonyl chloride?
The IUPAC name of (4-tert-butylphenyl)methanesulfonyl chloride (CID 2794645) is (4-tert-butylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-tert-butylphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-tert-butylphenyl)methanesulfonyl chloride is CC(C)(C)c1ccc(CS(=O)(=O)Cl)cc1.
What is the InChIKey of (4-tert-butylphenyl)methanesulfonyl chloride?
The InChIKey is NEJDUPGGBSPJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2S/c1-11(2,3)10-6-4-9(5-7-10)8-15(12,13)14/h4-7H,8H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)methanesulfonyl chloride?
(4-tert-butylphenyl)methanesulfonyl chloride has a molecular weight of 246.76 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 2794645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).