2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid

C12H16N2O6S — CID 63770992

IUPAC2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H16N2O6S/c15-12(16)9-20-11-3-1-10(2-4-11)13-21(17,18)14-5-7-19-8-6-14/h1-4,13H,5-9H2,(H,15,16)
InChIKeyUGTGYOFXRYFKPB-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.14
Rot. Bonds6

About 2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid

2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid (PubChem CID 63770992) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid
PubChem CID63770992
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H16N2O6S/c15-12(16)9-20-11-3-1-10(2-4-11)13-21(17,18)14-5-7-19-8-6-14/h1-4,13H,5-9H2,(H,15,16)
InChIKeyUGTGYOFXRYFKPB-UHFFFAOYSA-N
XLogP0.14
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)morpholine-4-sulfonamide
CID 21238314
N-(4-fluorophenyl)morpholine-4-sulfonamide
CID 2978606
N-(4-cyanophenyl)morpholine-4-sulfonamide
CID 28785040
2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 62033736
N-[4-(2-chloroethyl)phenyl]morpholine-4-sulfonamide
CID 65031107
N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide
CID 114296429
2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
CID 46736007
2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide
CID 62303922
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
N-(4-piperidin-1-ylphenyl)morpholine-4-sulfonamide
CID 110706046
2-[4-(tert-butylsulfamoylamino)phenoxy]acetic acid
CID 114806168
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid (CID 63770992) is 2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid is O=C(O)COc1ccc(NS(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid?
The InChIKey is UGTGYOFXRYFKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c15-12(16)9-20-11-3-1-10(2-4-11)13-21(17,18)14-5-7-19-8-6-14/h1-4,13H,5-9H2,(H,15,16).
What are the key properties of 2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid?
2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid has a molecular weight of 316.34 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid is sourced from PubChem (CID 63770992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).