methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate

C16H15F2NO4S — CID 3825540

IUPACmethyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO4S/c1-23-16(20)14(9-11-5-3-2-4-6-11)19-24(21,22)15-8-7-12(17)10-13(15)18/h2-8,10,14,19H,9H2,1H3
InChIKeyCEXSDKVNTWSIDC-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.03
Rot. Bonds6

About methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate

methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 3825540) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID3825540
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC Namemethyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO4S/c1-23-16(20)14(9-11-5-3-2-4-6-11)19-24(21,22)15-8-7-12(17)10-13(15)18/h2-8,10,14,19H,9H2,1H3
InChIKeyCEXSDKVNTWSIDC-UHFFFAOYSA-N
XLogP2.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 45479958
(2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 2123699
methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3854350
[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 150710755
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3673321
(2R)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 1267668
methyl (2S)-2-[(2-iodylphenyl)sulfonylamino]-3-phenylpropanoate
CID 101343894
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
(2-amino-2-oxoethyl) (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 2540770
methyl 2-[(3-chloro-2-hydroxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate
CID 167765633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate (CID 3825540) is methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is CEXSDKVNTWSIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-23-16(20)14(9-11-5-3-2-4-6-11)19-24(21,22)15-8-7-12(17)10-13(15)18/h2-8,10,14,19H,9H2,1H3.
What are the key properties of methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate?
methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 355.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 3825540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).