methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate

C16H16FNO4S — CID 3854350

IUPACmethyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H16FNO4S/c1-22-16(19)15(10-12-6-3-2-4-7-12)18-23(20,21)14-9-5-8-13(17)11-14/h2-9,11,15,18H,10H2,1H3
InChIKeyJJGLNMXIQRLVHY-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.89
Rot. Bonds6

About methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate

methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 3854350) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID3854350
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Namemethyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H16FNO4S/c1-22-16(19)15(10-12-6-3-2-4-7-12)18-23(20,21)14-9-5-8-13(17)11-14/h2-9,11,15,18H,10H2,1H3
InChIKeyJJGLNMXIQRLVHY-UHFFFAOYSA-N
XLogP1.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3825540
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3673321
methyl (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 45479958
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922
N-(1-amino-3-phenylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 63766194
methyl (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 40521531
methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
CID 110504250
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
2-[(3-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 4075518

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate (CID 3854350) is methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is JJGLNMXIQRLVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-22-16(19)15(10-12-6-3-2-4-7-12)18-23(20,21)14-9-5-8-13(17)11-14/h2-9,11,15,18H,10H2,1H3.
What are the key properties of methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate?
methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 337.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 3854350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).