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

C8H11F2N3O2S — CID 112675620

IUPACN-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ncc(F)cc1F
InChIInChI=1S/C8H11F2N3O2S/c1-16(14,15)13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5,13H,2-3H2,1H3,(H,11,12)
InChIKeyLVVCYGCGFJURGY-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.32
Rot. Bonds5

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

N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide (PubChem CID 112675620) has the molecular formula C8H11F2N3O2S and a molecular weight of 251.26 g/mol. Its IUPAC name is N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
PubChem CID112675620
Molecular FormulaC8H11F2N3O2S
Molecular Weight251.26 g/mol
Exact Mass251.05
IUPAC NameN-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ncc(F)cc1F
InChIInChI=1S/C8H11F2N3O2S/c1-16(14,15)13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5,13H,2-3H2,1H3,(H,11,12)
InChIKeyLVVCYGCGFJURGY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337617
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
N-[2-[(5-amino-3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 79532367
N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61228086
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 3847361
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 115416527
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974
3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine
CID 112675793
3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide (CID 112675620) is N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1ncc(F)cc1F.
What is the InChIKey of N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide?
The InChIKey is LVVCYGCGFJURGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2S/c1-16(14,15)13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5,13H,2-3H2,1H3,(H,11,12).
What are the key properties of N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide?
N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide 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 N-[2-[(3,5-difluoro-2-pyridinyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 112675620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).