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

C9H10ClF3N2O3S — CID 61046295

IUPAC6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)nc1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H10ClF3N2O3S/c10-8-2-1-7(5-14-8)19(17,18)15(3-4-16)6-9(11,12)13/h1-2,5,16H,3-4,6H2
InChIKeyXPILNNKSSLAHHY-UHFFFAOYSA-N
MW318.70 g/mol
LogP1.28
Rot. Bonds5

About 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 61046295) has the molecular formula C9H10ClF3N2O3S and a molecular weight of 318.70 g/mol. Its IUPAC name is 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID61046295
Molecular FormulaC9H10ClF3N2O3S
Molecular Weight318.70 g/mol
Exact Mass318.01
IUPAC Name6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)nc1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H10ClF3N2O3S/c10-8-2-1-7(5-14-8)19(17,18)15(3-4-16)6-9(11,12)13/h1-2,5,16H,3-4,6H2
InChIKeyXPILNNKSSLAHHY-UHFFFAOYSA-N
XLogP1.28
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.70
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 61046295) is 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is O=S(=O)(c1ccc(Cl)nc1)N(CCO)CC(F)(F)F.
What is the InChIKey of 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is XPILNNKSSLAHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O3S/c10-8-2-1-7(5-14-8)19(17,18)15(3-4-16)6-9(11,12)13/h1-2,5,16H,3-4,6H2.
What are the key properties of 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 318.70 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61046295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).