N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide

C15H22F3NO3S — CID 60539885

IUPACN-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO3S/c1-4-12(5-2)19(10-11-22-3)23(20,21)14-9-7-6-8-13(14)15(16,17)18/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyQZBBECAOXYBCOO-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.53
Rot. Bonds8

About N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide

N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 60539885) has the molecular formula C15H22F3NO3S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID60539885
Molecular FormulaC15H22F3NO3S
Molecular Weight353.41 g/mol
Exact Mass353.13
IUPAC NameN-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCC(CC)N(CCOC)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO3S/c1-4-12(5-2)19(10-11-22-3)23(20,21)14-9-7-6-8-13(14)15(16,17)18/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyQZBBECAOXYBCOO-UHFFFAOYSA-N
XLogP3.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide (CID 60539885) is N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide is CCC(CC)N(CCOC)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QZBBECAOXYBCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO3S/c1-4-12(5-2)19(10-11-22-3)23(20,21)14-9-7-6-8-13(14)15(16,17)18/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide?
N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 353.41 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 60539885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).