methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate

C11H15NO6S2 — CID 69384728

IUPACmethyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C11H15NO6S2/c1-18-11(13)8-9-6-4-5-7-10(9)12(19(2,14)15)20(3,16)17/h4-7H,8H2,1-3H3
InChIKeyULZFJEAAMDTJHN-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.13
Rot. Bonds5

About methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate

methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate (PubChem CID 69384728) has the molecular formula C11H15NO6S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate
PubChem CID69384728
Molecular FormulaC11H15NO6S2
Molecular Weight321.38 g/mol
Exact Mass321.03
IUPAC Namemethyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C11H15NO6S2/c1-18-11(13)8-9-6-4-5-7-10(9)12(19(2,14)15)20(3,16)17/h4-7H,8H2,1-3H3
InChIKeyULZFJEAAMDTJHN-UHFFFAOYSA-N
XLogP0.13
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-methylsulfonyloxyphenyl)acetate
CID 140986015
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate
CID 166663337
sodium 2-(2-methoxy-2-oxoethyl)phenolate
CID 162306929
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]acetate
CID 115461314
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
methyl 2-[2-(2-methylsulfonyloxyacetyl)phenyl]acetate
CID 11312187
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate
CID 87791393
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
methyl (3R)-4-[2-[2-[bis(methylsulfonyl)amino]phenyl]acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate;hydrochloride
CID 70166921

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate?
The IUPAC name of methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate (CID 69384728) is methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate is COC(=O)Cc1ccccc1N(S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate?
The InChIKey is ULZFJEAAMDTJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S2/c1-18-11(13)8-9-6-4-5-7-10(9)12(19(2,14)15)20(3,16)17/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate?
methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate has a molecular weight of 321.38 g/mol, XLogP of 0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate is sourced from PubChem (CID 69384728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).