4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide

C11H14ClNO4S — CID 70751740

IUPAC4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide
SMILESO=S1(=O)COCCN1CCOc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO4S/c12-10-1-3-11(4-2-10)17-8-6-13-5-7-16-9-18(13,14)15/h1-4H,5-9H2
InChIKeyCTTBKTJXUMOFTC-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.34
Rot. Bonds4

About 4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide

4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide (PubChem CID 70751740) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide
PubChem CID70751740
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide
SMILESO=S1(=O)COCCN1CCOc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO4S/c12-10-1-3-11(4-2-10)17-8-6-13-5-7-16-9-18(13,14)15/h1-4H,5-9H2
InChIKeyCTTBKTJXUMOFTC-UHFFFAOYSA-N
XLogP1.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-[1-(4-chlorophenyl)ethyl]phenoxy]ethyl]morpholine
CID 58923289
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
(4-chlorophenyl) morpholine-4-sulfonate
CID 3680578
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one
CID 134018272
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 78789988
1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
CID 63091463
2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 118491918
1-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100665527
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide?
The IUPAC name of 4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide (CID 70751740) is 4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide?
The canonical SMILES for 4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide is O=S1(=O)COCCN1CCOc1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide?
The InChIKey is CTTBKTJXUMOFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c12-10-1-3-11(4-2-10)17-8-6-13-5-7-16-9-18(13,14)15/h1-4H,5-9H2.
What are the key properties of 4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide?
4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide has a molecular weight of 291.76 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)ethyl]-1,3,4-oxathiazinane 3,3-dioxide is sourced from PubChem (CID 70751740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).