4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride

C16H17ClO3S — CID 43123791

IUPAC4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride
SMILESCC(C)c1ccc(COc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C16H17ClO3S/c1-12(2)14-5-3-13(4-6-14)11-20-15-7-9-16(10-8-15)21(17,18)19/h3-10,12H,11H2,1-2H3
InChIKeyYGKNXRJNTBMYQA-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.32
Rot. Bonds5

About 4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride

4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride (PubChem CID 43123791) has the molecular formula C16H17ClO3S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride
PubChem CID43123791
Molecular FormulaC16H17ClO3S
Molecular Weight324.83 g/mol
Exact Mass324.06
IUPAC Name4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride
SMILESCC(C)c1ccc(COc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C16H17ClO3S/c1-12(2)14-5-3-13(4-6-14)11-20-15-7-9-16(10-8-15)21(17,18)19/h3-10,12H,11H2,1-2H3
InChIKeyYGKNXRJNTBMYQA-UHFFFAOYSA-N
XLogP4.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride (CID 43123791) is 4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride is CC(C)c1ccc(COc2ccc(S(=O)(=O)Cl)cc2)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride?
The InChIKey is YGKNXRJNTBMYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3S/c1-12(2)14-5-3-13(4-6-14)11-20-15-7-9-16(10-8-15)21(17,18)19/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride?
4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride has a molecular weight of 324.83 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 43123791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).