2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide

C10H11BrFNO3S — CID 80713106

IUPAC2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOC1)c1ccc(F)cc1Br
InChIInChI=1S/C10H11BrFNO3S/c11-9-5-7(12)1-2-10(9)17(14,15)13-8-3-4-16-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyWHHWRBVSYZISQM-UHFFFAOYSA-N
MW324.17 g/mol
LogP1.66
Rot. Bonds3

About 2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide

2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 80713106) has the molecular formula C10H11BrFNO3S and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID80713106
Molecular FormulaC10H11BrFNO3S
Molecular Weight324.17 g/mol
Exact Mass322.96
IUPAC Name2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOC1)c1ccc(F)cc1Br
InChIInChI=1S/C10H11BrFNO3S/c11-9-5-7(12)1-2-10(9)17(14,15)13-8-3-4-16-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyWHHWRBVSYZISQM-UHFFFAOYSA-N
XLogP1.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 115563559
2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672165
2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 47257511
3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 107343713
4-bromo-3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716502
2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104953223
3-bromo-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 43610009
2-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027
2-fluoro-4-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 106072492
N-(2-bromo-4-fluorophenyl)oxolan-3-amine
CID 63331950
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63362196
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide
CID 124513957

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide (CID 80713106) is 2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide is O=S(=O)(NC1CCOC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is WHHWRBVSYZISQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO3S/c11-9-5-7(12)1-2-10(9)17(14,15)13-8-3-4-16-6-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of 2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide?
2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 324.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 80713106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).