2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride

C11H14BrClO2S — CID 116866437

IUPAC2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride
SMILESCc1ccc(Br)cc1C(C)(C)CS(=O)(=O)Cl
InChIInChI=1S/C11H14BrClO2S/c1-8-4-5-9(12)6-10(8)11(2,3)7-16(13,14)15/h4-6H,7H2,1-3H3
InChIKeyJLWAEJKESOROHL-UHFFFAOYSA-N
MW325.66 g/mol
LogP3.60
Rot. Bonds3

About 2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride

2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride (PubChem CID 116866437) has the molecular formula C11H14BrClO2S and a molecular weight of 325.66 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride
PubChem CID116866437
Molecular FormulaC11H14BrClO2S
Molecular Weight325.66 g/mol
Exact Mass323.96
IUPAC Name2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride
SMILESCc1ccc(Br)cc1C(C)(C)CS(=O)(=O)Cl
InChIInChI=1S/C11H14BrClO2S/c1-8-4-5-9(12)6-10(8)11(2,3)7-16(13,14)15/h4-6H,7H2,1-3H3
InChIKeyJLWAEJKESOROHL-UHFFFAOYSA-N
XLogP3.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.66
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methylphenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263701
2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride
CID 82308452
2-[(2,4-dibromophenoxy)methyl]-2-ethylbutane-1-sulfonyl chloride
CID 65003988
2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride
CID 116866432
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176137
4-bromo-1-(2,2-dimethylpropylsulfonyl)-2-methylbenzene
CID 147361707
2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152831
3-[[2-(5-bromo-2-methylphenyl)-2-methylpropyl]amino]propanoic acid
CID 115218391
3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride
CID 64999806
1-amino-2-(5-bromo-2-methylphenyl)propan-2-ol
CID 82647794
2-[(5-bromo-2-chlorophenoxy)methyl]-2-ethylbutane-1-sulfonyl chloride
CID 65004134
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147355

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride (CID 116866437) is 2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride is Cc1ccc(Br)cc1C(C)(C)CS(=O)(=O)Cl.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride?
The InChIKey is JLWAEJKESOROHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO2S/c1-8-4-5-9(12)6-10(8)11(2,3)7-16(13,14)15/h4-6H,7H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride?
2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride has a molecular weight of 325.66 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 116866437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).