2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid

C12H14ClNO6S — CID 166249433

IUPAC2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)N2CCCCO2)cc1Cl
InChIInChI=1S/C12H14ClNO6S/c13-10-7-9(3-4-11(10)19-8-12(15)16)21(17,18)14-5-1-2-6-20-14/h3-4,7H,1-2,5-6,8H2,(H,15,16)
InChIKeySEWPZXTVYKEFLR-UHFFFAOYSA-N
MW335.77 g/mol
LogP1.52
Rot. Bonds5

About 2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid

2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid (PubChem CID 166249433) has the molecular formula C12H14ClNO6S and a molecular weight of 335.77 g/mol. Its IUPAC name is 2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid
PubChem CID166249433
Molecular FormulaC12H14ClNO6S
Molecular Weight335.77 g/mol
Exact Mass335.02
IUPAC Name2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)N2CCCCO2)cc1Cl
InChIInChI=1S/C12H14ClNO6S/c13-10-7-9(3-4-11(10)19-8-12(15)16)21(17,18)14-5-1-2-6-20-14/h3-4,7H,1-2,5-6,8H2,(H,15,16)
InChIKeySEWPZXTVYKEFLR-UHFFFAOYSA-N
XLogP1.52
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(oxazinan-2-ylsulfonyl)benzoic acid
CID 107090245
2-[2-chloro-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylsulfonyl)phenoxy]acetic acid
CID 136531151
2-[2-chloro-4-[(3S)-3-fluoropyrrolidin-1-yl]sulfonylphenoxy]acetic acid
CID 154841751
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
4-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)butanoic acid
CID 146132875
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
CID 7457826
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 3306707
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 27161142
2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
CID 146130981
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 3950701
2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 100814466
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100800412

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid (CID 166249433) is 2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)N2CCCCO2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid?
The InChIKey is SEWPZXTVYKEFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO6S/c13-10-7-9(3-4-11(10)19-8-12(15)16)21(17,18)14-5-1-2-6-20-14/h3-4,7H,1-2,5-6,8H2,(H,15,16).
What are the key properties of 2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid?
2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid has a molecular weight of 335.77 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(oxazinan-2-ylsulfonyl)phenoxy]acetic acid is sourced from PubChem (CID 166249433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).