2-pentan-2-yloxybenzenesulfonyl chloride

C11H15ClO3S — CID 86197607

IUPAC2-pentan-2-yloxybenzenesulfonyl chloride
SMILESCCCC(C)Oc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C11H15ClO3S/c1-3-6-9(2)15-10-7-4-5-8-11(10)16(12,13)14/h4-5,7-9H,3,6H2,1-2H3
InChIKeyDEVURXDQVVRXQL-UHFFFAOYSA-N
MW262.76 g/mol
LogP3.18
Rot. Bonds5

About 2-pentan-2-yloxybenzenesulfonyl chloride

2-pentan-2-yloxybenzenesulfonyl chloride (PubChem CID 86197607) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2-pentan-2-yloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-pentan-2-yloxybenzenesulfonyl chloride
PubChem CID86197607
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name2-pentan-2-yloxybenzenesulfonyl chloride
SMILESCCCC(C)Oc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C11H15ClO3S/c1-3-6-9(2)15-10-7-4-5-8-11(10)16(12,13)14/h4-5,7-9H,3,6H2,1-2H3
InChIKeyDEVURXDQVVRXQL-UHFFFAOYSA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-pentan-2-yloxybenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
CID 107889750
2,3-dimethyl-4-pentan-2-yloxybenzenesulfonyl chloride
CID 107889725
2-butoxybenzenesulfonyl chloride
CID 21253032
1-tert-butyl-2-pentan-2-yloxybenzene
CID 107888354
4-pentan-2-yloxy-3-propan-2-ylbenzenesulfonyl chloride
CID 107889742
2-pentoxybenzenesulfonyl chloride
CID 87516954
1-(bromomethyl)-2-pentan-2-yloxybenzene
CID 107896126
2-(methoxymethoxy)benzenesulfonyl chloride
CID 131454177
2-(4-butan-2-yl-3-methylphenoxy)benzenesulfonyl chloride
CID 18705169
5-[2-(benzenesulfonyl)phenoxy]hexan-1-amine
CID 57046535
2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193
2-(bromomethyl)-1-chloro-3-pentan-2-yloxybenzene
CID 107896175

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yloxybenzenesulfonyl chloride?
The IUPAC name of 2-pentan-2-yloxybenzenesulfonyl chloride (CID 86197607) is 2-pentan-2-yloxybenzenesulfonyl chloride.
What is the SMILES notation for 2-pentan-2-yloxybenzenesulfonyl chloride?
The canonical SMILES for 2-pentan-2-yloxybenzenesulfonyl chloride is CCCC(C)Oc1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-pentan-2-yloxybenzenesulfonyl chloride?
The InChIKey is DEVURXDQVVRXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-3-6-9(2)15-10-7-4-5-8-11(10)16(12,13)14/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 2-pentan-2-yloxybenzenesulfonyl chloride?
2-pentan-2-yloxybenzenesulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yloxybenzenesulfonyl chloride is sourced from PubChem (CID 86197607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).