N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide

C9H12F3N3O2S — CID 83068756

IUPACN-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNc1ccc(NS(=O)(=O)CCCC(F)(F)F)nc1
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)4-1-5-18(16,17)15-8-3-2-7(13)6-14-8/h2-3,6H,1,4-5,13H2,(H,14,15)
InChIKeyLRICDFUYVZSBBP-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.75
Rot. Bonds5

About N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83068756) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.27 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83068756
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.27 g/mol
Exact Mass283.06
IUPAC NameN-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNc1ccc(NS(=O)(=O)CCCC(F)(F)F)nc1
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)4-1-5-18(16,17)15-8-3-2-7(13)6-14-8/h2-3,6H,1,4-5,13H2,(H,14,15)
InChIKeyLRICDFUYVZSBBP-UHFFFAOYSA-N
XLogP1.75
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 115968063
3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
CID 65481850
3-chloro-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
CID 65482273
4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide
CID 83057926
N-(3-amino-4-ethylphenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067721
N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103943751
N-(5-amino-2-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43144678
N-(2-bromo-5-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 112750103
N-[4-(1-aminoethyl)phenyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068409
N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 104621057
4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide
CID 116815095
N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107606863

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83068756) is N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide is Nc1ccc(NS(=O)(=O)CCCC(F)(F)F)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is LRICDFUYVZSBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c10-9(11,12)4-1-5-18(16,17)15-8-3-2-7(13)6-14-8/h2-3,6H,1,4-5,13H2,(H,14,15).
What are the key properties of N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 283.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83068756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).