N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide

C10H15F2N3O2S — CID 103306685

IUPACN-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C10H15F2N3O2S/c1-2-5-13-8-4-3-6-14-10(8)18(16,17)15-7-9(11)12/h3-4,6,9,13,15H,2,5,7H2,1H3
InChIKeyZXWLVWPMFWJQDZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.45
Rot. Bonds7

About N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide

N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103306685) has the molecular formula C10H15F2N3O2S and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103306685
Molecular FormulaC10H15F2N3O2S
Molecular Weight279.31 g/mol
Exact Mass279.09
IUPAC NameN-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C10H15F2N3O2S/c1-2-5-13-8-4-3-6-14-10(8)18(16,17)15-7-9(11)12/h3-4,6,9,13,15H,2,5,7H2,1H3
InChIKeyZXWLVWPMFWJQDZ-UHFFFAOYSA-N
XLogP1.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-(2,2-difluoroethyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103301882
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103307540
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
N-(3-fluorophenyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103303892
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306299
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306623
3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 103306242

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide (CID 103306685) is N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is ZXWLVWPMFWJQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2S/c1-2-5-13-8-4-3-6-14-10(8)18(16,17)15-7-9(11)12/h3-4,6,9,13,15H,2,5,7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide?
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 279.31 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103306685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).