N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C9H11F3N2O3S — CID 107483729

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O3S/c10-9(11,12)7-14(4-5-15)18(16,17)8-2-1-3-13-6-8/h1-3,6,15H,4-5,7H2
InChIKeyXGFLNAHLZFWQDR-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.63
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 107483729) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID107483729
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cccnc1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O3S/c10-9(11,12)7-14(4-5-15)18(16,17)8-2-1-3-13-6-8/h1-3,6,15H,4-5,7H2
InChIKeyXGFLNAHLZFWQDR-UHFFFAOYSA-N
XLogP0.63
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107481602
5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107483726
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 107485955
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54877060
N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
CID 107202982
N-(2-hydroxyethyl)-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-sulfonamide
CID 107485963
methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate
CID 54899558
3-fluoro-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483804
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
3-amino-4-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 115328994
N-benzyl-N-[(2S)-2-hydroxy-2-methylbutyl]pyridine-3-sulfonamide
CID 99789218
5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107480756

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 107483729) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is O=S(=O)(c1cccnc1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is XGFLNAHLZFWQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c10-9(11,12)7-14(4-5-15)18(16,17)8-2-1-3-13-6-8/h1-3,6,15H,4-5,7H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 284.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107483729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).