2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

C14H19F2NO3S — CID 91915423

IUPAC2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO3S/c1-2-6-17(9-11-5-7-20-10-11)21(18,19)14-4-3-12(15)8-13(14)16/h3-4,8,11H,2,5-7,9-10H2,1H3
InChIKeyPMWXEBHZDVWWQA-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.40
Rot. Bonds6

About 2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide

2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 91915423) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID91915423
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO3S/c1-2-6-17(9-11-5-7-20-10-11)21(18,19)14-4-3-12(15)8-13(14)16/h3-4,8,11H,2,5-7,9-10H2,1H3
InChIKeyPMWXEBHZDVWWQA-UHFFFAOYSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (CID 91915423) is 2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is PMWXEBHZDVWWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c1-2-6-17(9-11-5-7-20-10-11)21(18,19)14-4-3-12(15)8-13(14)16/h3-4,8,11H,2,5-7,9-10H2,1H3.
What are the key properties of 2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 319.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 91915423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).