N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide

C11H14ClF3N2O2S — CID 143128434

IUPACN-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCCN(CCCl)S(=O)(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H14ClF3N2O2S/c1-2-6-17(7-4-12)20(18,19)10-8-16-5-3-9(10)11(13,14)15/h3,5,8H,2,4,6-7H2,1H3
InChIKeyAYTUUQKEEGXMBC-UHFFFAOYSA-N
MW330.76 g/mol
LogP2.74
Rot. Bonds6

About N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide

N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 143128434) has the molecular formula C11H14ClF3N2O2S and a molecular weight of 330.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID143128434
Molecular FormulaC11H14ClF3N2O2S
Molecular Weight330.76 g/mol
Exact Mass330.04
IUPAC NameN-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCCCN(CCCl)S(=O)(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H14ClF3N2O2S/c1-2-6-17(7-4-12)20(18,19)10-8-16-5-3-9(10)11(13,14)15/h3,5,8H,2,4,6-7H2,1H3
InChIKeyAYTUUQKEEGXMBC-UHFFFAOYSA-N
XLogP2.74
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide (CID 143128434) is N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide is CCCN(CCCl)S(=O)(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is AYTUUQKEEGXMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O2S/c1-2-6-17(7-4-12)20(18,19)10-8-16-5-3-9(10)11(13,14)15/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide?
N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 330.76 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 143128434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).