5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride

C11H14Cl2O3S — CID 107889750

IUPAC5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
SMILESCCCC(C)Oc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14Cl2O3S/c1-3-4-8(2)16-10-6-5-9(12)7-11(10)17(13,14)15/h5-8H,3-4H2,1-2H3
InChIKeyKWIWLGLUAVXAFC-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.83
Rot. Bonds5

About 5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride

5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride (PubChem CID 107889750) has the molecular formula C11H14Cl2O3S and a molecular weight of 297.20 g/mol. Its IUPAC name is 5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
PubChem CID107889750
Molecular FormulaC11H14Cl2O3S
Molecular Weight297.20 g/mol
Exact Mass296.00
IUPAC Name5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
SMILESCCCC(C)Oc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14Cl2O3S/c1-3-4-8(2)16-10-6-5-9(12)7-11(10)17(13,14)15/h5-8H,3-4H2,1-2H3
InChIKeyKWIWLGLUAVXAFC-UHFFFAOYSA-N
XLogP3.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pentan-2-yloxybenzenesulfonyl chloride
CID 86197607
2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride
CID 107889725
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
2-[1-(butylamino)-1-oxopropan-2-yl]oxy-5-chlorobenzenesulfonyl chloride
CID 82911347
4-chloro-2-(chloromethyl)-1-pentan-2-yloxybenzene
CID 107896133
4-pentan-2-yloxy-3-propan-2-ylbenzenesulfonyl chloride
CID 107889742
2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride
CID 82922031
(1S)-1-(5-chloro-2-pentan-2-yloxyphenyl)ethanol
CID 107892259
5-chloro-2-nonoxybenzenesulfonyl chloride
CID 63495663
5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide
CID 102982026
5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 62104796
5-chloro-2-[1-oxo-1-(prop-2-enylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82921733

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride (CID 107889750) is 5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride is CCCC(C)Oc1ccc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride?
The InChIKey is KWIWLGLUAVXAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O3S/c1-3-4-8(2)16-10-6-5-9(12)7-11(10)17(13,14)15/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride?
5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride has a molecular weight of 297.20 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride is sourced from PubChem (CID 107889750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).