N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide

C10H15F2N3O3S — CID 107485934

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H15F2N3O3S/c1-13-8-3-2-4-14-10(8)19(17,18)15(5-6-16)7-9(11)12/h2-4,9,13,16H,5-7H2,1H3
InChIKeyKAPMPNAWFGATKE-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.37
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 107485934) has the molecular formula C10H15F2N3O3S and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide
PubChem CID107485934
Molecular FormulaC10H15F2N3O3S
Molecular Weight295.31 g/mol
Exact Mass295.08
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H15F2N3O3S/c1-13-8-3-2-4-14-10(8)19(17,18)15(5-6-16)7-9(11)12/h2-4,9,13,16H,5-7H2,1H3
InChIKeyKAPMPNAWFGATKE-UHFFFAOYSA-N
XLogP0.37
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-sulfonamide
CID 107485963
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide
CID 107485944
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103304973
3-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-sulfonamide
CID 103305564
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305649
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 107481586
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
N-[3-(dimethylamino)propyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103306050
N-methyl-3-(methylamino)-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 103306504
N-cyclopropyl-3-(methylamino)-N-(3-methylbutyl)pyridine-2-sulfonamide
CID 103305597
N-(2,2-difluoroethyl)-N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103307540
3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide (CID 107485934) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is KAPMPNAWFGATKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O3S/c1-13-8-3-2-4-14-10(8)19(17,18)15(5-6-16)7-9(11)12/h2-4,9,13,16H,5-7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide has a molecular weight of 295.31 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 107485934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).