2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide

C8H11F2N3O2S — CID 106337617

IUPAC2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncc(F)cc1F
InChIInChI=1S/C8H11F2N3O2S/c1-11-16(14,15)3-2-12-8-7(10)4-6(9)5-13-8/h4-5,11H,2-3H2,1H3,(H,12,13)
InChIKeyAVSXAZJFXXSTCR-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.32
Rot. Bonds5

About 2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide

2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide (PubChem CID 106337617) has the molecular formula C8H11F2N3O2S and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide
PubChem CID106337617
Molecular FormulaC8H11F2N3O2S
Molecular Weight251.26 g/mol
Exact Mass251.05
IUPAC Name2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncc(F)cc1F
InChIInChI=1S/C8H11F2N3O2S/c1-11-16(14,15)3-2-12-8-7(10)4-6(9)5-13-8/h4-5,11H,2-3H2,1H3,(H,12,13)
InChIKeyAVSXAZJFXXSTCR-UHFFFAOYSA-N
XLogP0.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 112675620
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 102675409
2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106333992
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
N-methyl-2-(pyrazin-2-ylamino)ethanesulfonamide
CID 106337907
2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide
CID 106341535
2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106337621
N-(3,5-difluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112676237
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide (CID 106337617) is 2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ncc(F)cc1F.
What is the InChIKey of 2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide?
The InChIKey is AVSXAZJFXXSTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2S/c1-11-16(14,15)3-2-12-8-7(10)4-6(9)5-13-8/h4-5,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide?
2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide has a molecular weight of 251.26 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106337617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).