4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine

C13H16ClNO5S — CID 7111818

IUPAC4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OC[C@@H]2CO2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H16ClNO5S/c14-12-7-11(1-2-13(12)20-9-10-8-19-10)21(16,17)15-3-5-18-6-4-15/h1-2,7,10H,3-6,8-9H2/t10-/m0/s1
InChIKeyKBHVUJGCZXFVTR-JTQLQIEISA-N
MW333.79 g/mol
LogP1.14
Rot. Bonds5

About 4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine

4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine (PubChem CID 7111818) has the molecular formula C13H16ClNO5S and a molecular weight of 333.79 g/mol. Its IUPAC name is 4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
PubChem CID7111818
Molecular FormulaC13H16ClNO5S
Molecular Weight333.79 g/mol
Exact Mass333.04
IUPAC Name4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OC[C@@H]2CO2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H16ClNO5S/c14-12-7-11(1-2-13(12)20-9-10-8-19-10)21(16,17)15-3-5-18-6-4-15/h1-2,7,10H,3-6,8-9H2/t10-/m0/s1
InChIKeyKBHVUJGCZXFVTR-JTQLQIEISA-N
XLogP1.14
TPSA68.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
CID 7457826
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol
CID 7440472
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 2490622
4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine
CID 3870387
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(4-ethylpiperazin-1-yl)ethanone
CID 6493062
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398495
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
1-(1-adamantylamino)-3-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 3409221
4-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 9333066
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine (CID 7111818) is 4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(OC[C@@H]2CO2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine?
The InChIKey is KBHVUJGCZXFVTR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClNO5S/c14-12-7-11(1-2-13(12)20-9-10-8-19-10)21(16,17)15-3-5-18-6-4-15/h1-2,7,10H,3-6,8-9H2/t10-/m0/s1.
What are the key properties of 4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine?
4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine has a molecular weight of 333.79 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine is sourced from PubChem (CID 7111818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).