3-(4-ethoxyphenyl)propane-1-sulfonyl chloride

C11H15ClO3S — CID 98790103

IUPAC3-(4-ethoxyphenyl)propane-1-sulfonyl chloride
SMILESCCOc1ccc(CCCS(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO3S/c1-2-15-11-7-5-10(6-8-11)4-3-9-16(12,13)14/h5-8H,2-4,9H2,1H3
InChIKeyZWXNZHVFPOHPTG-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.59
Rot. Bonds6

About 3-(4-ethoxyphenyl)propane-1-sulfonyl chloride

3-(4-ethoxyphenyl)propane-1-sulfonyl chloride (PubChem CID 98790103) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)propane-1-sulfonyl chloride
PubChem CID98790103
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name3-(4-ethoxyphenyl)propane-1-sulfonyl chloride
SMILESCCOc1ccc(CCCS(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO3S/c1-2-15-11-7-5-10(6-8-11)4-3-9-16(12,13)14/h5-8H,2-4,9H2,1H3
InChIKeyZWXNZHVFPOHPTG-UHFFFAOYSA-N
XLogP2.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[2-(4-ethoxyphenyl)sulfonylethyl]pyridine
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triethyl-[3-(4-prop-2-enoxyphenyl)propyl]-λ4-sulfane
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1-(4-ethoxyphenyl)ethanesulfonyl chloride
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(4-ethoxyphenyl)methyl methanesulfonate
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CID 54365174
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5-(4-ethoxyphenyl)-N-methylpentanehydrazide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(4-ethoxyphenyl)propane-1-sulfonyl chloride (CID 98790103) is 3-(4-ethoxyphenyl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(4-ethoxyphenyl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(4-ethoxyphenyl)propane-1-sulfonyl chloride is CCOc1ccc(CCCS(=O)(=O)Cl)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)propane-1-sulfonyl chloride?
The InChIKey is ZWXNZHVFPOHPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-2-15-11-7-5-10(6-8-11)4-3-9-16(12,13)14/h5-8H,2-4,9H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)propane-1-sulfonyl chloride?
3-(4-ethoxyphenyl)propane-1-sulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)propane-1-sulfonyl chloride is sourced from PubChem (CID 98790103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).