2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide

C9H7BrFN3O3S — CID 166435783

IUPAC2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2c(F)cccc2Br)no1
InChIInChI=1S/C9H7BrFN3O3S/c1-5-12-9(13-17-5)14-18(15,16)8-6(10)3-2-4-7(8)11/h2-4H,1H3,(H,13,14)
InChIKeyJQBKVAXCSXMWHJ-UHFFFAOYSA-N
MW336.14 g/mol
LogP2.08
Rot. Bonds3

About 2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide

2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 166435783) has the molecular formula C9H7BrFN3O3S and a molecular weight of 336.14 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID166435783
Molecular FormulaC9H7BrFN3O3S
Molecular Weight336.14 g/mol
Exact Mass334.94
IUPAC Name2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2c(F)cccc2Br)no1
InChIInChI=1S/C9H7BrFN3O3S/c1-5-12-9(13-17-5)14-18(15,16)8-6(10)3-2-4-7(8)11/h2-4H,1H3,(H,13,14)
InChIKeyJQBKVAXCSXMWHJ-UHFFFAOYSA-N
XLogP2.08
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-methyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 75448302
N-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,6-difluorobenzenesulfonamide
CID 75448330
3,4,5-trifluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 75517545
2-bromo-6-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746575
N-(2-bromophenyl)-2,6-difluorobenzenesulfonamide
CID 2648231
N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenesulfonamide
CID 84599824
N-(3-aminopropyl)-2-bromo-6-fluorobenzenesulfonamide;hydrochloride
CID 86780627
2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 11097996
2-bromo-N-[(1S)-1-cyanoethyl]-6-fluorobenzenesulfonamide
CID 97243590
N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 86816594
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
CID 26951704
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 166435783) is 2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2c(F)cccc2Br)no1.
What is the InChIKey of 2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is JQBKVAXCSXMWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3O3S/c1-5-12-9(13-17-5)14-18(15,16)8-6(10)3-2-4-7(8)11/h2-4H,1H3,(H,13,14).
What are the key properties of 2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide has a molecular weight of 336.14 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 166435783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).