2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate

C12H13ClNO6S- — CID 7457826

IUPAC2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
SMILESO=C([O-])COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C12H14ClNO6S/c13-10-7-9(1-2-11(10)20-8-12(15)16)21(17,18)14-3-5-19-6-4-14/h1-2,7H,3-6,8H2,(H,15,16)/p-1
InChIKeySDMLJQHIDCXMJK-UHFFFAOYSA-M
MW334.76 g/mol
LogP-0.51
Rot. Bonds5

About 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate

2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate (PubChem CID 7457826) has the molecular formula C12H13ClNO6S- and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate.

Molecular Properties

Compound Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
PubChem CID7457826
Molecular FormulaC12H13ClNO6S-
Molecular Weight334.76 g/mol
Exact Mass334.02
IUPAC Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
SMILESO=C([O-])COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C12H14ClNO6S/c13-10-7-9(1-2-11(10)20-8-12(15)16)21(17,18)14-3-5-19-6-4-14/h1-2,7H,3-6,8H2,(H,15,16)/p-1
InChIKeySDMLJQHIDCXMJK-UHFFFAOYSA-M
XLogP-0.51
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 2490622
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(4-ethylpiperazin-1-yl)ethanone
CID 6493062
4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 7111818
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402252
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 100800378
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
2-[2-chloro-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylsulfonyl)phenoxy]acetic acid
CID 136531151
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43873738
2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 100814466

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate?
The IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate (CID 7457826) is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate.
What is the SMILES notation for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate?
The canonical SMILES for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate is O=C([O-])COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate?
The InChIKey is SDMLJQHIDCXMJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14ClNO6S/c13-10-7-9(1-2-11(10)20-8-12(15)16)21(17,18)14-3-5-19-6-4-14/h1-2,7H,3-6,8H2,(H,15,16)/p-1.
What are the key properties of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate?
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate has a molecular weight of 334.76 g/mol, XLogP of -0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate is sourced from PubChem (CID 7457826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).