4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine

C14H20ClNO3S — CID 43662640

IUPAC4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine
SMILESCCC1COCCN1S(=O)(=O)c1ccc(CCCl)cc1
InChIInChI=1S/C14H20ClNO3S/c1-2-13-11-19-10-9-16(13)20(17,18)14-5-3-12(4-6-14)7-8-15/h3-6,13H,2,7-11H2,1H3
InChIKeyCVYMGAYANPCVPE-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.27
Rot. Bonds5

About 4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine

4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine (PubChem CID 43662640) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine.

Molecular Properties

Compound Name4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine
PubChem CID43662640
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine
SMILESCCC1COCCN1S(=O)(=O)c1ccc(CCCl)cc1
InChIInChI=1S/C14H20ClNO3S/c1-2-13-11-19-10-9-16(13)20(17,18)14-5-3-12(4-6-14)7-8-15/h3-6,13H,2,7-11H2,1H3
InChIKeyCVYMGAYANPCVPE-UHFFFAOYSA-N
XLogP2.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[4-(bromomethyl)phenyl]sulfonyl-3-ethylmorpholine
CID 65480190
2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43612964
3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60823840
1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine
CID 62922384
2-bromo-5-(3-ethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43612960
4-(4-fluorophenyl)sulfonyl-3-(2-phenylethyl)morpholine
CID 155269127
3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607306
4-[(3-ethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43611643
3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
CID 43613589
4-(5-bromothiophen-2-yl)sulfonyl-3-ethylmorpholine
CID 61392339
1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol
CID 60874201
3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 64601076

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine?
The IUPAC name of 4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine (CID 43662640) is 4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine.
What is the SMILES notation for 4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine?
The canonical SMILES for 4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine is CCC1COCCN1S(=O)(=O)c1ccc(CCCl)cc1.
What is the InChIKey of 4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine?
The InChIKey is CVYMGAYANPCVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-2-13-11-19-10-9-16(13)20(17,18)14-5-3-12(4-6-14)7-8-15/h3-6,13H,2,7-11H2,1H3.
What are the key properties of 4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine?
4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine has a molecular weight of 317.84 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloroethyl)phenyl]sulfonyl-3-ethylmorpholine is sourced from PubChem (CID 43662640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).