2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

C14H20FNO3S — CID 91915419

IUPAC2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H20FNO3S/c1-2-8-16(10-12-7-9-19-11-12)20(17,18)14-6-4-3-5-13(14)15/h3-6,12H,2,7-11H2,1H3
InChIKeyZMJKSBVYWHKTGE-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.26
Rot. Bonds6

About 2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 91915419) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID91915419
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H20FNO3S/c1-2-8-16(10-12-7-9-19-11-12)20(17,18)14-6-4-3-5-13(14)15/h3-6,12H,2,7-11H2,1H3
InChIKeyZMJKSBVYWHKTGE-UHFFFAOYSA-N
XLogP2.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide 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 2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (CID 91915419) is 2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is ZMJKSBVYWHKTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-2-8-16(10-12-7-9-19-11-12)20(17,18)14-6-4-3-5-13(14)15/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 91915419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).