4-propan-2-yloxybenzenesulfonyl chloride

C9H11ClO3S — CID 22327297

IUPAC4-propan-2-yloxybenzenesulfonyl chloride
SMILESCC(C)Oc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClO3S/c1-7(2)13-8-3-5-9(6-4-8)14(10,11)12/h3-7H,1-2H3
InChIKeyIJWCRHKAQNFJLT-UHFFFAOYSA-N
MW234.70 g/mol
LogP2.40
Rot. Bonds3

About 4-propan-2-yloxybenzenesulfonyl chloride

4-propan-2-yloxybenzenesulfonyl chloride (PubChem CID 22327297) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 4-propan-2-yloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-propan-2-yloxybenzenesulfonyl chloride
PubChem CID22327297
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name4-propan-2-yloxybenzenesulfonyl chloride
SMILESCC(C)Oc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClO3S/c1-7(2)13-8-3-5-9(6-4-8)14(10,11)12/h3-7H,1-2H3
InChIKeyIJWCRHKAQNFJLT-UHFFFAOYSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxybenzenesulfonyl chloride?
The IUPAC name of 4-propan-2-yloxybenzenesulfonyl chloride (CID 22327297) is 4-propan-2-yloxybenzenesulfonyl chloride.
What is the SMILES notation for 4-propan-2-yloxybenzenesulfonyl chloride?
The canonical SMILES for 4-propan-2-yloxybenzenesulfonyl chloride is CC(C)Oc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-propan-2-yloxybenzenesulfonyl chloride?
The InChIKey is IJWCRHKAQNFJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-7(2)13-8-3-5-9(6-4-8)14(10,11)12/h3-7H,1-2H3.
What are the key properties of 4-propan-2-yloxybenzenesulfonyl chloride?
4-propan-2-yloxybenzenesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxybenzenesulfonyl chloride is sourced from PubChem (CID 22327297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).