N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide

C11H16F3N3O4S — CID 136574943

IUPACN-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1cnc(NCCO)c(C(F)(F)F)c1
InChIInChI=1S/C11H16F3N3O4S/c1-17(3-5-19)22(20,21)8-6-9(11(12,13)14)10(16-7-8)15-2-4-18/h6-7,18-19H,2-5H2,1H3,(H,15,16)
InChIKeyGDWLSEHDWHEAEO-UHFFFAOYSA-N
MW343.33 g/mol
LogP0.12
Rot. Bonds7

About N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide

N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 136574943) has the molecular formula C11H16F3N3O4S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID136574943
Molecular FormulaC11H16F3N3O4S
Molecular Weight343.33 g/mol
Exact Mass343.08
IUPAC NameN-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1cnc(NCCO)c(C(F)(F)F)c1
InChIInChI=1S/C11H16F3N3O4S/c1-17(3-5-19)22(20,21)8-6-9(11(12,13)14)10(16-7-8)15-2-4-18/h6-7,18-19H,2-5H2,1H3,(H,15,16)
InChIKeyGDWLSEHDWHEAEO-UHFFFAOYSA-N
XLogP0.12
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide (CID 136574943) is N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide is CN(CCO)S(=O)(=O)c1cnc(NCCO)c(C(F)(F)F)c1.
What is the InChIKey of N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is GDWLSEHDWHEAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O4S/c1-17(3-5-19)22(20,21)8-6-9(11(12,13)14)10(16-7-8)15-2-4-18/h6-7,18-19H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide?
N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 343.33 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-(2-hydroxyethylamino)-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 136574943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).