5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride

C9H5BrCl2N2O4S — CID 82910206

IUPAC5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1ncon1
InChIInChI=1S/C9H5BrCl2N2O4S/c10-5-1-6(11)9(7(2-5)19(12,15)16)17-3-8-13-4-18-14-8/h1-2,4H,3H2
InChIKeyOUUNYFIBRFGSEC-UHFFFAOYSA-N
MW388.03 g/mol
LogP2.99
Rot. Bonds4

About 5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride

5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (PubChem CID 82910206) has the molecular formula C9H5BrCl2N2O4S and a molecular weight of 388.03 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
PubChem CID82910206
Molecular FormulaC9H5BrCl2N2O4S
Molecular Weight388.03 g/mol
Exact Mass385.85
IUPAC Name5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1ncon1
InChIInChI=1S/C9H5BrCl2N2O4S/c10-5-1-6(11)9(7(2-5)19(12,15)16)17-3-8-13-4-18-14-8/h1-2,4H,3H2
InChIKeyOUUNYFIBRFGSEC-UHFFFAOYSA-N
XLogP2.99
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (CID 82910206) is 5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1ncon1.
What is the InChIKey of 5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is OUUNYFIBRFGSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2N2O4S/c10-5-1-6(11)9(7(2-5)19(12,15)16)17-3-8-13-4-18-14-8/h1-2,4H,3H2.
What are the key properties of 5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride has a molecular weight of 388.03 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82910206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).