ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate

C16H16F2N2O4S — CID 3855455

IUPACethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccn1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O4S/c1-2-24-16(21)11-20(10-12-5-3-4-8-19-12)25(22,23)13-6-7-14(17)15(18)9-13/h3-9H,2,10-11H2,1H3
InChIKeyUSIPDQGPYDWZIG-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.11
Rot. Bonds7

About ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate

ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate (PubChem CID 3855455) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
PubChem CID3855455
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Nameethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccn1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O4S/c1-2-24-16(21)11-20(10-12-5-3-4-8-19-12)25(22,23)13-6-7-14(17)15(18)9-13/h3-9H,2,10-11H2,1H3
InChIKeyUSIPDQGPYDWZIG-UHFFFAOYSA-N
XLogP2.11
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2,3,4,5,6-pentamethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3288655
methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate
CID 3827562
2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate
CID 160612270
pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 25311392
ethyl 2-[(4-amino-3-fluorophenyl)sulfonyl-ethylamino]acetate
CID 82844557
2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid
CID 146128222
2-[[2-[[carboxymethyl-(3,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
CID 155007527
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724645
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
ethyl 2-[(3-cyano-4-fluorophenyl)sulfonyl-ethylamino]acetate
CID 63239313
3-fluoro-4-methoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084554
3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189251

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate (CID 3855455) is ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate is CCOC(=O)CN(Cc1ccccn1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate?
The InChIKey is USIPDQGPYDWZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c1-2-24-16(21)11-20(10-12-5-3-4-8-19-12)25(22,23)13-6-7-14(17)15(18)9-13/h3-9H,2,10-11H2,1H3.
What are the key properties of ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate?
ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate has a molecular weight of 370.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate is sourced from PubChem (CID 3855455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).