methyl 2-[4-(propylsulfonylamino)phenoxy]acetate

C12H17NO5S — CID 61062745

IUPACmethyl 2-[4-(propylsulfonylamino)phenoxy]acetate
SMILESCCCS(=O)(=O)Nc1ccc(OCC(=O)OC)cc1
InChIInChI=1S/C12H17NO5S/c1-3-8-19(15,16)13-10-4-6-11(7-5-10)18-9-12(14)17-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyXNWLGXGVPPNXJC-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.39
Rot. Bonds7

About methyl 2-[4-(propylsulfonylamino)phenoxy]acetate

methyl 2-[4-(propylsulfonylamino)phenoxy]acetate (PubChem CID 61062745) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 2-[4-(propylsulfonylamino)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(propylsulfonylamino)phenoxy]acetate
PubChem CID61062745
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Namemethyl 2-[4-(propylsulfonylamino)phenoxy]acetate
SMILESCCCS(=O)(=O)Nc1ccc(OCC(=O)OC)cc1
InChIInChI=1S/C12H17NO5S/c1-3-8-19(15,16)13-10-4-6-11(7-5-10)18-9-12(14)17-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyXNWLGXGVPPNXJC-UHFFFAOYSA-N
XLogP1.39
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-aminophenoxy)acetate
CID 412616
Tetradecanoic acid, 2-[4-[(butylsulfonyl)amino]phenoxy]-, methyl ester
CID 18676574
Methyl (4-{[(3-nitrophenyl)sulfonyl]amino}phenoxy)acetate
CID 2961199
N-[4-[6-[4-(methanesulfonamido)phenoxy]hexoxy]phenyl]methanesulfonamide
CID 44531359
(4-{[(2,5-Dimethoxyphenyl)sulfonyl]amino}phenoxy)acetic acid
CID 1260996
2-[4-(Benzylsulfonylamino)phenoxy]acetamide
CID 3830332
2-(4-Aminophenoxy)acetic acid
CID 95797
N-(4-methoxyphenyl)methanesulfonamide
CID 791123
Taurinophenetidine
CID 198002
Methyl(4-aminophenoxy)acetate
CID 6422115
N-(4-pentoxyphenyl)methanesulfonamide
CID 645056
2-[4-(Benzylsulfonylamino)phenoxy]-2-methylpropanoic acid
CID 9906360

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(propylsulfonylamino)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(propylsulfonylamino)phenoxy]acetate (CID 61062745) is methyl 2-[4-(propylsulfonylamino)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(propylsulfonylamino)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(propylsulfonylamino)phenoxy]acetate is CCCS(=O)(=O)Nc1ccc(OCC(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(propylsulfonylamino)phenoxy]acetate?
The InChIKey is XNWLGXGVPPNXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-3-8-19(15,16)13-10-4-6-11(7-5-10)18-9-12(14)17-2/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of methyl 2-[4-(propylsulfonylamino)phenoxy]acetate?
methyl 2-[4-(propylsulfonylamino)phenoxy]acetate has a molecular weight of 287.34 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(propylsulfonylamino)phenoxy]acetate is sourced from PubChem (CID 61062745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).