4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride

C15H15ClO4S — CID 16740705

IUPAC4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
SMILESCC(C)Oc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C15H15ClO4S/c1-11(2)19-12-3-5-13(6-4-12)20-14-7-9-15(10-8-14)21(16,17)18/h3-11H,1-2H3
InChIKeyDATFZHXDRNHFDE-UHFFFAOYSA-N
MW326.80 g/mol
LogP4.19
Rot. Bonds5

About 4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride

4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride (PubChem CID 16740705) has the molecular formula C15H15ClO4S and a molecular weight of 326.80 g/mol. Its IUPAC name is 4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
PubChem CID16740705
Molecular FormulaC15H15ClO4S
Molecular Weight326.80 g/mol
Exact Mass326.04
IUPAC Name4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
SMILESCC(C)Oc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C15H15ClO4S/c1-11(2)19-12-3-5-13(6-4-12)20-14-7-9-15(10-8-14)21(16,17)18/h3-11H,1-2H3
InChIKeyDATFZHXDRNHFDE-UHFFFAOYSA-N
XLogP4.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
CID 8484
4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane
CID 143162061
4-[(2S)-butan-2-yl]oxybenzenesulfonyl chloride
CID 98235111
1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene
CID 148598428
2-[[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylmethyl]thiirane
CID 70684365
1-(2-phenylpropan-2-yl)-4-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]benzene
CID 155694440
4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82915898
4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
4-[4-(2-methoxyethyl)phenoxy]benzenesulfonyl chloride
CID 43110134
4-(3-chloro-5-methylphenoxy)benzenesulfonyl chloride
CID 143425071
4-(1-cyanopropoxy)benzenesulfonyl chloride
CID 82917382

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride (CID 16740705) is 4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride is CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1.
What is the InChIKey of 4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride?
The InChIKey is DATFZHXDRNHFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO4S/c1-11(2)19-12-3-5-13(6-4-12)20-14-7-9-15(10-8-14)21(16,17)18/h3-11H,1-2H3.
What are the key properties of 4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride?
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride has a molecular weight of 326.80 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 16740705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).