2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride

C14H21ClO3S — CID 65012648

IUPAC2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride
SMILESCCCC(COc1ccc(CC)cc1)CS(=O)(=O)Cl
InChIInChI=1S/C14H21ClO3S/c1-3-5-13(11-19(15,16)17)10-18-14-8-6-12(4-2)7-9-14/h6-9,13H,3-5,10-11H2,1-2H3
InChIKeyQMZMLJCNENLPBY-UHFFFAOYSA-N
MW304.84 g/mol
LogP3.61
Rot. Bonds8

About 2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride

2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride (PubChem CID 65012648) has the molecular formula C14H21ClO3S and a molecular weight of 304.84 g/mol. Its IUPAC name is 2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride
PubChem CID65012648
Molecular FormulaC14H21ClO3S
Molecular Weight304.84 g/mol
Exact Mass304.09
IUPAC Name2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride
SMILESCCCC(COc1ccc(CC)cc1)CS(=O)(=O)Cl
InChIInChI=1S/C14H21ClO3S/c1-3-5-13(11-19(15,16)17)10-18-14-8-6-12(4-2)7-9-14/h6-9,13H,3-5,10-11H2,1-2H3
InChIKeyQMZMLJCNENLPBY-UHFFFAOYSA-N
XLogP3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(phenoxymethyl)pentane-1-sulfonyl chloride
CID 65012905
2-[(3-ethoxyphenoxy)methyl]pentane-1-sulfonyl chloride
CID 65012961
2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide
CID 65012504
3-methyl-2-[(4-propylphenoxy)methyl]butane-1-sulfonyl chloride
CID 65012527
2-[(2-fluoro-3-methylphenoxy)methyl]pentane-1-sulfonyl chloride
CID 107661808
2-[(4-bromophenoxy)methyl]pentane-1-sulfonamide
CID 65013265
2-[(3-chloro-2-fluorophenoxy)methyl]pentane-1-sulfonyl chloride
CID 116690829
2-[(4-fluorophenoxy)methyl]pentane-1-sulfonamide
CID 65012609
2-[(2-chloro-4-methylphenoxy)methyl]pentane-1-sulfonyl chloride
CID 65013058
2-[(4-bromo-2-chlorophenoxy)methyl]pentane-1-sulfonyl chloride
CID 65013258
2-[(2-bromo-4-chlorophenoxy)methyl]pentane-1-sulfonyl chloride
CID 65013154
2-[(3-ethoxyphenoxy)methyl]butane-1-sulfonyl chloride
CID 64999162

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride?
The IUPAC name of 2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride (CID 65012648) is 2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride.
What is the SMILES notation for 2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride?
The canonical SMILES for 2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride is CCCC(COc1ccc(CC)cc1)CS(=O)(=O)Cl.
What is the InChIKey of 2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride?
The InChIKey is QMZMLJCNENLPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO3S/c1-3-5-13(11-19(15,16)17)10-18-14-8-6-12(4-2)7-9-14/h6-9,13H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride?
2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride has a molecular weight of 304.84 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenoxy)methyl]pentane-1-sulfonyl chloride is sourced from PubChem (CID 65012648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).