N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide

C10H13F3N2O3S — CID 86080765

IUPACN-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c1-2-15(5-6-16)19(17,18)9-7-14-4-3-8(9)10(11,12)13/h3-4,7,16H,2,5-6H2,1H3
InChIKeyCKMHCODUCZTHLW-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.10
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide

N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 86080765) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID86080765
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O3S/c1-2-15(5-6-16)19(17,18)9-7-14-4-3-8(9)10(11,12)13/h3-4,7,16H,2,5-6H2,1H3
InChIKeyCKMHCODUCZTHLW-UHFFFAOYSA-N
XLogP1.10
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide (CID 86080765) is N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide is CCN(CCO)S(=O)(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is CKMHCODUCZTHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-2-15(5-6-16)19(17,18)9-7-14-4-3-8(9)10(11,12)13/h3-4,7,16H,2,5-6H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide?
N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 298.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 86080765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).