N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide

C15H20F3NO3S — CID 91905707

IUPACN-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO3S/c1-2-8-19(10-12-7-9-22-11-12)23(20,21)14-5-3-13(4-6-14)15(16,17)18/h3-6,12H,2,7-11H2,1H3
InChIKeyNRQLXDQZBOKVSQ-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.14
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide

N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 91905707) has the molecular formula C15H20F3NO3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID91905707
Molecular FormulaC15H20F3NO3S
Molecular Weight351.39 g/mol
Exact Mass351.11
IUPAC NameN-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO3S/c1-2-8-19(10-12-7-9-22-11-12)23(20,21)14-5-3-13(4-6-14)15(16,17)18/h3-6,12H,2,7-11H2,1H3
InChIKeyNRQLXDQZBOKVSQ-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide (CID 91905707) is N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NRQLXDQZBOKVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3S/c1-2-8-19(10-12-7-9-22-11-12)23(20,21)14-5-3-13(4-6-14)15(16,17)18/h3-6,12H,2,7-11H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide?
N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-N-propyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91905707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).