N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide

C9H10F2N4O2S — CID 106598697

IUPACN-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C9H10F2N4O2S/c10-9(11,5-13)6-15-18(16,17)8-2-1-3-14-7(8)4-12/h1-3,15H,5-6,13H2
InChIKeyFZOUGOUYUSVVLY-UHFFFAOYSA-N
MW276.27 g/mol
LogP-0.17
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide

N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106598697) has the molecular formula C9H10F2N4O2S and a molecular weight of 276.27 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide
PubChem CID106598697
Molecular FormulaC9H10F2N4O2S
Molecular Weight276.27 g/mol
Exact Mass276.05
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NCC(F)(F)CN
InChIInChI=1S/C9H10F2N4O2S/c10-9(11,5-13)6-15-18(16,17)8-2-1-3-14-7(8)4-12/h1-3,15H,5-6,13H2
InChIKeyFZOUGOUYUSVVLY-UHFFFAOYSA-N
XLogP-0.17
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 106593434
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106545557
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide
CID 106598642
2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
N-[2-(4-aminophenyl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593181
2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 106546512
N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
CID 106598520
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234
N-(3-amino-2,2-difluoropropyl)-5-cyano-2-methylbenzenesulfonamide
CID 114383953
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide (CID 106598697) is N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is FZOUGOUYUSVVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O2S/c10-9(11,5-13)6-15-18(16,17)8-2-1-3-14-7(8)4-12/h1-3,15H,5-6,13H2.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide has a molecular weight of 276.27 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106598697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).