5-bromo-2-propan-2-yloxybenzenesulfonyl chloride

C9H10BrClO3S — CID 62103078

IUPAC5-bromo-2-propan-2-yloxybenzenesulfonyl chloride
SMILESCC(C)Oc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H10BrClO3S/c1-6(2)14-8-4-3-7(10)5-9(8)15(11,12)13/h3-6H,1-2H3
InChIKeyHOGYKGWUVHEPKE-UHFFFAOYSA-N
MW313.60 g/mol
LogP3.16
Rot. Bonds3

About 5-bromo-2-propan-2-yloxybenzenesulfonyl chloride

5-bromo-2-propan-2-yloxybenzenesulfonyl chloride (PubChem CID 62103078) has the molecular formula C9H10BrClO3S and a molecular weight of 313.60 g/mol. Its IUPAC name is 5-bromo-2-propan-2-yloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-propan-2-yloxybenzenesulfonyl chloride
PubChem CID62103078
Molecular FormulaC9H10BrClO3S
Molecular Weight313.60 g/mol
Exact Mass311.92
IUPAC Name5-bromo-2-propan-2-yloxybenzenesulfonyl chloride
SMILESCC(C)Oc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H10BrClO3S/c1-6(2)14-8-4-3-7(10)5-9(8)15(11,12)13/h3-6H,1-2H3
InChIKeyHOGYKGWUVHEPKE-UHFFFAOYSA-N
XLogP3.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.60
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-yloxybenzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-propan-2-yloxybenzenesulfonyl chloride (CID 62103078) is 5-bromo-2-propan-2-yloxybenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-propan-2-yloxybenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-propan-2-yloxybenzenesulfonyl chloride is CC(C)Oc1ccc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-2-propan-2-yloxybenzenesulfonyl chloride?
The InChIKey is HOGYKGWUVHEPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO3S/c1-6(2)14-8-4-3-7(10)5-9(8)15(11,12)13/h3-6H,1-2H3.
What are the key properties of 5-bromo-2-propan-2-yloxybenzenesulfonyl chloride?
5-bromo-2-propan-2-yloxybenzenesulfonyl chloride has a molecular weight of 313.60 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-yloxybenzenesulfonyl chloride is sourced from PubChem (CID 62103078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).