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

C12H12BrN3O4S — CID 82912816

IUPAC3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2nc(C3CC3)no2)c(Br)c1
InChIInChI=1S/C12H12BrN3O4S/c13-9-5-8(21(14,17)18)3-4-10(9)19-6-11-15-12(16-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,17,18)
InChIKeyVQMWUMVVVCGKIK-UHFFFAOYSA-N
MW374.22 g/mol
LogP1.94
Rot. Bonds5

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

3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide (PubChem CID 82912816) has the molecular formula C12H12BrN3O4S and a molecular weight of 374.22 g/mol. Its IUPAC name is 3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide
PubChem CID82912816
Molecular FormulaC12H12BrN3O4S
Molecular Weight374.22 g/mol
Exact Mass372.97
IUPAC Name3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2nc(C3CC3)no2)c(Br)c1
InChIInChI=1S/C12H12BrN3O4S/c13-9-5-8(21(14,17)18)3-4-10(9)19-6-11-15-12(16-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,17,18)
InChIKeyVQMWUMVVVCGKIK-UHFFFAOYSA-N
XLogP1.94
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide?
The IUPAC name of 3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide (CID 82912816) is 3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCc2nc(C3CC3)no2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide?
The InChIKey is VQMWUMVVVCGKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O4S/c13-9-5-8(21(14,17)18)3-4-10(9)19-6-11-15-12(16-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,17,18).
What are the key properties of 3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide?
3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide has a molecular weight of 374.22 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82912816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).