5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride

C10H12BrClO2S — CID 155820878

IUPAC5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride
SMILESCC(C)Cc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12BrClO2S/c1-7(2)5-8-3-4-9(11)6-10(8)15(12,13)14/h3-4,6-7H,5H2,1-2H3
InChIKeySECNIOYQQRAKKK-UHFFFAOYSA-N
MW311.63 g/mol
LogP3.58
Rot. Bonds3

About 5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride

5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride (PubChem CID 155820878) has the molecular formula C10H12BrClO2S and a molecular weight of 311.63 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride
PubChem CID155820878
Molecular FormulaC10H12BrClO2S
Molecular Weight311.63 g/mol
Exact Mass309.94
IUPAC Name5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride
SMILESCC(C)Cc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12BrClO2S/c1-7(2)5-8-3-4-9(11)6-10(8)15(12,13)14/h3-4,6-7H,5H2,1-2H3
InChIKeySECNIOYQQRAKKK-UHFFFAOYSA-N
XLogP3.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.63
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride (CID 155820878) is 5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride is CC(C)Cc1ccc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride?
The InChIKey is SECNIOYQQRAKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2S/c1-7(2)5-8-3-4-9(11)6-10(8)15(12,13)14/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride?
5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride has a molecular weight of 311.63 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpropyl)benzenesulfonyl chloride is sourced from PubChem (CID 155820878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).