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

C14H20FNO3S — CID 91915437

IUPAC3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H20FNO3S/c1-2-7-16(10-12-6-8-19-11-12)20(17,18)14-5-3-4-13(15)9-14/h3-5,9,12H,2,6-8,10-11H2,1H3
InChIKeyISGOPQKMTUSRTJ-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.26
Rot. Bonds6

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

3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 91915437) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID91915437
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CCOC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H20FNO3S/c1-2-7-16(10-12-6-8-19-11-12)20(17,18)14-5-3-4-13(15)9-14/h3-5,9,12H,2,6-8,10-11H2,1H3
InChIKeyISGOPQKMTUSRTJ-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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide (CID 91915437) is 3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CCOC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is ISGOPQKMTUSRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-2-7-16(10-12-6-8-19-11-12)20(17,18)14-5-3-4-13(15)9-14/h3-5,9,12H,2,6-8,10-11H2,1H3.
What are the key properties of 3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide?
3-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 3-fluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 91915437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).