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

C9H7BrFN3O3S — CID 75448304

IUPAC3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)c(Br)c2)no1
InChIInChI=1S/C9H7BrFN3O3S/c1-5-12-9(13-17-5)14-18(15,16)6-2-3-8(11)7(10)4-6/h2-4H,1H3,(H,13,14)
InChIKeyRQWMIQDPNWVQCK-UHFFFAOYSA-N
MW336.14 g/mol
LogP2.08
Rot. Bonds3

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

3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 75448304) has the molecular formula C9H7BrFN3O3S and a molecular weight of 336.14 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID75448304
Molecular FormulaC9H7BrFN3O3S
Molecular Weight336.14 g/mol
Exact Mass334.94
IUPAC Name3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)c(Br)c2)no1
InChIInChI=1S/C9H7BrFN3O3S/c1-5-12-9(13-17-5)14-18(15,16)6-2-3-8(11)7(10)4-6/h2-4H,1H3,(H,13,14)
InChIKeyRQWMIQDPNWVQCK-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 75448304) is 3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(F)c(Br)c2)no1.
What is the InChIKey of 3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is RQWMIQDPNWVQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3O3S/c1-5-12-9(13-17-5)14-18(15,16)6-2-3-8(11)7(10)4-6/h2-4H,1H3,(H,13,14).
What are the key properties of 3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
3-bromo-4-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 3-bromo-4-fluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 75448304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).