(4-propoxyphenyl)methanesulfonyl chloride

C10H13ClO3S — CID 114996230

IUPAC(4-propoxyphenyl)methanesulfonyl chloride
SMILESCCCOc1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO3S/c1-2-7-14-10-5-3-9(4-6-10)8-15(11,12)13/h3-6H,2,7-8H2,1H3
InChIKeyJKJWQLGPVAMIRB-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.54
Rot. Bonds5

About (4-propoxyphenyl)methanesulfonyl chloride

(4-propoxyphenyl)methanesulfonyl chloride (PubChem CID 114996230) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is (4-propoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-propoxyphenyl)methanesulfonyl chloride
PubChem CID114996230
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name(4-propoxyphenyl)methanesulfonyl chloride
SMILESCCCOc1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO3S/c1-2-7-14-10-5-3-9(4-6-10)8-15(11,12)13/h3-6H,2,7-8H2,1H3
InChIKeyJKJWQLGPVAMIRB-UHFFFAOYSA-N
XLogP2.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylsulfonyl-4-propoxybenzene
CID 34245036
1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide
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6-(4-butylphenoxy)hexane-1-sulfonyl chloride
CID 115493524
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 87522161
1-(chloromethyl)-4-(2-propylsulfonylethoxy)benzene
CID 106726467
N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245
(4-propoxyphenyl)methylhydrazine
CID 53401453
1-(bromomethyl)-4-(4-propoxyphenoxy)benzene
CID 107087461
2-(4-methoxyphenoxy)ethanesulfonyl chloride
CID 54594527
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (4-propoxyphenyl)methanesulfonyl chloride (CID 114996230) is (4-propoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-propoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-propoxyphenyl)methanesulfonyl chloride is CCCOc1ccc(CS(=O)(=O)Cl)cc1.
What is the InChIKey of (4-propoxyphenyl)methanesulfonyl chloride?
The InChIKey is JKJWQLGPVAMIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-2-7-14-10-5-3-9(4-6-10)8-15(11,12)13/h3-6H,2,7-8H2,1H3.
What are the key properties of (4-propoxyphenyl)methanesulfonyl chloride?
(4-propoxyphenyl)methanesulfonyl chloride has a molecular weight of 248.73 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 114996230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).