methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate

C10H10F3NO4S — CID 43427641

IUPACmethyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate
SMILESCOC(=O)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO4S/c1-18-9(15)6-14-7-2-4-8(5-3-7)19(16,17)10(11,12)13/h2-5,14H,6H2,1H3
InChIKeyDEPFKVUFVOSXDZ-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.57
Rot. Bonds4

About methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate

methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate (PubChem CID 43427641) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate
PubChem CID43427641
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Namemethyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate
SMILESCOC(=O)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO4S/c1-18-9(15)6-14-7-2-4-8(5-3-7)19(16,17)10(11,12)13/h2-5,14H,6H2,1H3
InChIKeyDEPFKVUFVOSXDZ-UHFFFAOYSA-N
XLogP1.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-phenyl-3-[4-(trifluoromethylsulfonyl)anilino]propanoate
CID 71871507
4-[(2-methoxy-2-oxoethyl)amino]benzoic acid
CID 898305
N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide
CID 43429869
4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline
CID 63226683
2-ethyl-1-N-[4-(trifluoromethylsulfonyl)phenyl]butane-1,2-diamine
CID 115306206
2-methyl-1-[4-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 62662886
N-(2-methyl-2-methylsulfanylpropyl)-4-(trifluoromethylsulfonyl)aniline
CID 115663481
N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethylsulfonyl)aniline
CID 115698632
1,3-bis[4-(trifluoromethylsulfonyl)phenyl]urea
CID 19433219
3-[4-(trifluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66175657
methyl 2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]acetate
CID 129488504
(2R)-1-[4-[bromo(difluoro)methyl]sulfonylanilino]propan-2-ol
CID 167979935

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate?
The IUPAC name of methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate (CID 43427641) is methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate.
What is the SMILES notation for methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate?
The canonical SMILES for methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate is COC(=O)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate?
The InChIKey is DEPFKVUFVOSXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c1-18-9(15)6-14-7-2-4-8(5-3-7)19(16,17)10(11,12)13/h2-5,14H,6H2,1H3.
What are the key properties of methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate?
methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate has a molecular weight of 297.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate is sourced from PubChem (CID 43427641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).