N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide

C13H17BrFNO3S — CID 166224823

IUPACN-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide
SMILESCCC(NS(=O)(=O)C1CCOC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H17BrFNO3S/c1-2-13(9-5-10(14)7-11(15)6-9)16-20(17,18)12-3-4-19-8-12/h5-7,12-13,16H,2-4,8H2,1H3
InChIKeyCKCPZZXAOWIWRZ-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide

N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide (PubChem CID 166224823) has the molecular formula C13H17BrFNO3S and a molecular weight of 366.25 g/mol. Its IUPAC name is N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide
PubChem CID166224823
Molecular FormulaC13H17BrFNO3S
Molecular Weight366.25 g/mol
Exact Mass365.01
IUPAC NameN-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide
SMILESCCC(NS(=O)(=O)C1CCOC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H17BrFNO3S/c1-2-13(9-5-10(14)7-11(15)6-9)16-20(17,18)12-3-4-19-8-12/h5-7,12-13,16H,2-4,8H2,1H3
InChIKeyCKCPZZXAOWIWRZ-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide 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-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide?
The IUPAC name of N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide (CID 166224823) is N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide.
What is the SMILES notation for N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide?
The canonical SMILES for N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide is CCC(NS(=O)(=O)C1CCOC1)c1cc(F)cc(Br)c1.
What is the InChIKey of N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide?
The InChIKey is CKCPZZXAOWIWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO3S/c1-2-13(9-5-10(14)7-11(15)6-9)16-20(17,18)12-3-4-19-8-12/h5-7,12-13,16H,2-4,8H2,1H3.
What are the key properties of N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide?
N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide has a molecular weight of 366.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-5-fluorophenyl)propyl]oxolane-3-sulfonamide is sourced from PubChem (CID 166224823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).