4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C11H8BrCl2N3O3S — CID 61215542

IUPAC4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2CC2)o1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H8BrCl2N3O3S/c12-6-3-7(13)9(8(14)4-6)21(18,19)17-11-16-15-10(20-11)5-1-2-5/h3-5H,1-2H2,(H,16,17)
InChIKeyLHEBMWYWAXOSGX-UHFFFAOYSA-N
MW413.08 g/mol
LogP3.82
Rot. Bonds4

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

4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 61215542) has the molecular formula C11H8BrCl2N3O3S and a molecular weight of 413.08 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID61215542
Molecular FormulaC11H8BrCl2N3O3S
Molecular Weight413.08 g/mol
Exact Mass410.88
IUPAC Name4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2CC2)o1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H8BrCl2N3O3S/c12-6-3-7(13)9(8(14)4-6)21(18,19)17-11-16-15-10(20-11)5-1-2-5/h3-5H,1-2H2,(H,16,17)
InChIKeyLHEBMWYWAXOSGX-UHFFFAOYSA-N
XLogP3.82
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.08
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 61215542) is 4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nnc(C2CC2)o1)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is LHEBMWYWAXOSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3O3S/c12-6-3-7(13)9(8(14)4-6)21(18,19)17-11-16-15-10(20-11)5-1-2-5/h3-5H,1-2H2,(H,16,17).
What are the key properties of 4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 413.08 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 61215542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).