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

C11H17F2N3O2S — CID 103307540

IUPACN-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)N(C)CC(F)F
InChIInChI=1S/C11H17F2N3O2S/c1-3-6-14-9-5-4-7-15-11(9)19(17,18)16(2)8-10(12)13/h4-5,7,10,14H,3,6,8H2,1-2H3
InChIKeyNYHBRJNUIMYEJF-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.79
Rot. Bonds7

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

N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103307540) has the molecular formula C11H17F2N3O2S and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103307540
Molecular FormulaC11H17F2N3O2S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC NameN-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)N(C)CC(F)F
InChIInChI=1S/C11H17F2N3O2S/c1-3-6-14-9-5-4-7-15-11(9)19(17,18)16(2)8-10(12)13/h4-5,7,10,14H,3,6,8H2,1-2H3
InChIKeyNYHBRJNUIMYEJF-UHFFFAOYSA-N
XLogP1.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305537
N-methyl-N-(2-methylsulfanylethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306973
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-ethyl-N-(1-methoxypropan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305051
N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305237
N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide
CID 103303046
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305649

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide (CID 103307540) is N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)N(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is NYHBRJNUIMYEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S/c1-3-6-14-9-5-4-7-15-11(9)19(17,18)16(2)8-10(12)13/h4-5,7,10,14H,3,6,8H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide?
N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 293.34 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103307540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).