N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide

C13H18FNO3S — CID 60581819

IUPACN-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-2-15(10-12-4-3-9-18-12)19(16,17)13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10H2,1H3
InChIKeyYAPBLFXEVFUNRI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.02
Rot. Bonds5

About N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide

N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 60581819) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID60581819
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC NameN-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-2-15(10-12-4-3-9-18-12)19(16,17)13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10H2,1H3
InChIKeyYAPBLFXEVFUNRI-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 60581819) is N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCN(CC1CCCO1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is YAPBLFXEVFUNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-2-15(10-12-4-3-9-18-12)19(16,17)13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10H2,1H3.
What are the key properties of N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60581819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).