(3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate

C16H15F2NO5S — CID 7954170

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESCOc1ccc(COC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C16H15F2NO5S/c1-23-15-7-2-11(8-14(15)18)10-24-16(20)9-19-25(21,22)13-5-3-12(17)4-6-13/h2-8,19H,9-10H2,1H3
InChIKeyMYFCQAILQBSGDD-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.00
Rot. Bonds7

About (3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate

(3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate (PubChem CID 7954170) has the molecular formula C16H15F2NO5S and a molecular weight of 371.36 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
PubChem CID7954170
Molecular FormulaC16H15F2NO5S
Molecular Weight371.36 g/mol
Exact Mass371.06
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESCOc1ccc(COC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C16H15F2NO5S/c1-23-15-7-2-11(8-14(15)18)10-24-16(20)9-19-25(21,22)13-5-3-12(17)4-6-13/h2-8,19H,9-10H2,1H3
InChIKeyMYFCQAILQBSGDD-UHFFFAOYSA-N
XLogP2.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluoro-4-methoxyphenyl)methyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 7679394
(3-fluoro-4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806955
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
(4-cyanophenyl)methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664523
(3-fluoro-4-methoxyphenyl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843363
(2,5-dimethylphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954223
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662119
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
(3-fluoro-4-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7752969

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate (CID 7954170) is (3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate is COc1ccc(COC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
The InChIKey is MYFCQAILQBSGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO5S/c1-23-15-7-2-11(8-14(15)18)10-24-16(20)9-19-25(21,22)13-5-3-12(17)4-6-13/h2-8,19H,9-10H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate?
(3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate has a molecular weight of 371.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7954170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).