3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide

C12H14BrN3O4S — CID 82912805

IUPAC3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
SMILESCCCc1nc(COc2ccc(S(N)(=O)=O)cc2Br)no1
InChIInChI=1S/C12H14BrN3O4S/c1-2-3-12-15-11(16-20-12)7-19-10-5-4-8(6-9(10)13)21(14,17)18/h4-6H,2-3,7H2,1H3,(H2,14,17,18)
InChIKeyABNJTUNTPWPULO-UHFFFAOYSA-N
MW376.23 g/mol
LogP2.01
Rot. Bonds6

About 3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide

3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide (PubChem CID 82912805) has the molecular formula C12H14BrN3O4S and a molecular weight of 376.23 g/mol. Its IUPAC name is 3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
PubChem CID82912805
Molecular FormulaC12H14BrN3O4S
Molecular Weight376.23 g/mol
Exact Mass374.99
IUPAC Name3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
SMILESCCCc1nc(COc2ccc(S(N)(=O)=O)cc2Br)no1
InChIInChI=1S/C12H14BrN3O4S/c1-2-3-12-15-11(16-20-12)7-19-10-5-4-8(6-9(10)13)21(14,17)18/h4-6H,2-3,7H2,1H3,(H2,14,17,18)
InChIKeyABNJTUNTPWPULO-UHFFFAOYSA-N
XLogP2.01
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911293
N-[[3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63045842
3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide
CID 82912816
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82915719
[5-nitro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61495645
3-[(2-bromo-4-methylphenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 54959293
3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole
CID 61495193
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid
CID 82913263
3-[(4-bromo-3-methylphenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 81300449
[5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61495157
3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82910957
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The IUPAC name of 3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide (CID 82912805) is 3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide is CCCc1nc(COc2ccc(S(N)(=O)=O)cc2Br)no1.
What is the InChIKey of 3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
The InChIKey is ABNJTUNTPWPULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O4S/c1-2-3-12-15-11(16-20-12)7-19-10-5-4-8(6-9(10)13)21(14,17)18/h4-6H,2-3,7H2,1H3,(H2,14,17,18).
What are the key properties of 3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide?
3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide has a molecular weight of 376.23 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82912805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).