methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate

C16H17FN2O4S — CID 97257920

IUPACmethyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate
SMILESCOC(=O)[C@@](C)(c1ccccn1)N(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H17FN2O4S/c1-16(15(20)23-3,14-9-4-5-10-18-14)19(2)24(21,22)13-8-6-7-12(17)11-13/h4-11H,1-3H3/t16-/m1/s1
InChIKeyPLGDPYVVTSGHQX-MRXNPFEDSA-N
MW352.39 g/mol
LogP1.93
Rot. Bonds5

About methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate

methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate (PubChem CID 97257920) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate
PubChem CID97257920
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Namemethyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate
SMILESCOC(=O)[C@@](C)(c1ccccn1)N(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H17FN2O4S/c1-16(15(20)23-3,14-9-4-5-10-18-14)19(2)24(21,22)13-8-6-7-12(17)11-13/h4-11H,1-3H3/t16-/m1/s1
InChIKeyPLGDPYVVTSGHQX-MRXNPFEDSA-N
XLogP1.93
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[(2R)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-2-methylbenzoate
CID 97257917
methyl 3-[[(2S)-1-methoxy-1-oxo-2-pyridin-2-ylpropan-2-yl]-methylsulfamoyl]-4-methylbenzoate
CID 97257924
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
1-(3-fluorophenyl)-2-methyl-2-pyridin-2-ylpropan-1-one
CID 170899869
tert-butyl 2-[(3-fluorophenyl)sulfonyl-methylamino]acetate
CID 4658727
methyl (2R)-2-(methylamino)-2-pyridin-2-ylpropanoate
CID 93309846
N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 3853010
methyl 2-[[3-(chloromethyl)phenyl]sulfonyl-methylamino]-2-methylpropanoate
CID 137487656
methyl 2-(3-methylanilino)-2-pyridin-2-ylpropanoate
CID 60993352
(E)-but-2-enedioic acid;(1R)-1-(3-fluorophenyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
CID 67390336
1-(3-fluorophenyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
CID 46236227
[3-[tert-butyl(methyl)sulfamoyl]phenyl]-methoxyborinic acid
CID 144646962

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate?
The IUPAC name of methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate (CID 97257920) is methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate?
The canonical SMILES for methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate is COC(=O)[C@@](C)(c1ccccn1)N(C)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate?
The InChIKey is PLGDPYVVTSGHQX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-16(15(20)23-3,14-9-4-5-10-18-14)19(2)24(21,22)13-8-6-7-12(17)11-13/h4-11H,1-3H3/t16-/m1/s1.
What are the key properties of methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate?
methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate has a molecular weight of 352.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3-fluorophenyl)sulfonyl-methylamino]-2-pyridin-2-ylpropanoate is sourced from PubChem (CID 97257920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).