4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid

C13H14ClNO5S — CID 138044058

IUPAC4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1S(=O)(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C13H14ClNO5S/c14-11-4-2-1-3-10(11)5-8-21(18,19)15-6-7-20-9-12(15)13(16)17/h1-5,8,12H,6-7,9H2,(H,16,17)/b8-5+
InChIKeyKBGBYUSXIZAWPU-VMPITWQZSA-N
MW331.78 g/mol
LogP1.43
Rot. Bonds4

About 4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid

4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid (PubChem CID 138044058) has the molecular formula C13H14ClNO5S and a molecular weight of 331.78 g/mol. Its IUPAC name is 4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid
PubChem CID138044058
Molecular FormulaC13H14ClNO5S
Molecular Weight331.78 g/mol
Exact Mass331.03
IUPAC Name4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1S(=O)(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C13H14ClNO5S/c14-11-4-2-1-3-10(11)5-8-21(18,19)15-6-7-20-9-12(15)13(16)17/h1-5,8,12H,6-7,9H2,(H,16,17)/b8-5+
InChIKeyKBGBYUSXIZAWPU-VMPITWQZSA-N
XLogP1.43
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 126802773
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(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
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(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 1108161
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
(3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid
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4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126784174
2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 77133316
4-[3-(2-butan-2-yloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126772311

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid?
The IUPAC name of 4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid (CID 138044058) is 4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid?
The canonical SMILES for 4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid is O=C(O)C1COCCN1S(=O)(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of 4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid?
The InChIKey is KBGBYUSXIZAWPU-VMPITWQZSA-N. The full InChI is InChI=1S/C13H14ClNO5S/c14-11-4-2-1-3-10(11)5-8-21(18,19)15-6-7-20-9-12(15)13(16)17/h1-5,8,12H,6-7,9H2,(H,16,17)/b8-5+.
What are the key properties of 4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid?
4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid has a molecular weight of 331.78 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-chlorophenyl)ethenyl]sulfonylmorpholine-3-carboxylic acid is sourced from PubChem (CID 138044058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).