2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide

C9H12F3N3O3S — CID 107485955

IUPAC2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
SMILESNc1cc(S(=O)(=O)N(CCO)CC(F)(F)F)ccn1
InChIInChI=1S/C9H12F3N3O3S/c10-9(11,12)6-15(3-4-16)19(17,18)7-1-2-14-8(13)5-7/h1-2,5,16H,3-4,6H2,(H2,13,14)
InChIKeyPGEPEOVTIKPCFE-UHFFFAOYSA-N
MW299.27 g/mol
LogP0.21
Rot. Bonds5

About 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide

2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide (PubChem CID 107485955) has the molecular formula C9H12F3N3O3S and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
PubChem CID107485955
Molecular FormulaC9H12F3N3O3S
Molecular Weight299.27 g/mol
Exact Mass299.06
IUPAC Name2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
SMILESNc1cc(S(=O)(=O)N(CCO)CC(F)(F)F)ccn1
InChIInChI=1S/C9H12F3N3O3S/c10-9(11,12)6-15(3-4-16)19(17,18)7-1-2-14-8(13)5-7/h1-2,5,16H,3-4,6H2,(H2,13,14)
InChIKeyPGEPEOVTIKPCFE-UHFFFAOYSA-N
XLogP0.21
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 115328994
3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107481602
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107483729
3-fluoro-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483804
5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107483726
5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107480756
3-cyano-4-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107479743
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54877060
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-sulfonamide
CID 62159378
5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63980416
N-(2-hydroxyethyl)-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-sulfonamide
CID 107485963
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 107483821

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide (CID 107485955) is 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide is Nc1cc(S(=O)(=O)N(CCO)CC(F)(F)F)ccn1.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide?
The InChIKey is PGEPEOVTIKPCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O3S/c10-9(11,12)6-15(3-4-16)19(17,18)7-1-2-14-8(13)5-7/h1-2,5,16H,3-4,6H2,(H2,13,14).
What are the key properties of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide?
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide has a molecular weight of 299.27 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 107485955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).