5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride

C10H7BrCl2N2O4S — CID 82910612

IUPAC5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
SMILESCc1noc(COc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)n1
InChIInChI=1S/C10H7BrCl2N2O4S/c1-5-14-9(19-15-5)4-18-10-7(12)2-6(11)3-8(10)20(13,16)17/h2-3H,4H2,1H3
InChIKeyQWAYQIXDAXDORT-UHFFFAOYSA-N
MW402.05 g/mol
LogP3.30
Rot. Bonds4

About 5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride

5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82910612) has the molecular formula C10H7BrCl2N2O4S and a molecular weight of 402.05 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
PubChem CID82910612
Molecular FormulaC10H7BrCl2N2O4S
Molecular Weight402.05 g/mol
Exact Mass399.87
IUPAC Name5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
SMILESCc1noc(COc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)n1
InChIInChI=1S/C10H7BrCl2N2O4S/c1-5-14-9(19-15-5)4-18-10-7(12)2-6(11)3-8(10)20(13,16)17/h2-3H,4H2,1H3
InChIKeyQWAYQIXDAXDORT-UHFFFAOYSA-N
XLogP3.30
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.05
LogP ≤ 53.30
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-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride (CID 82910612) is 5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride is Cc1noc(COc2c(Cl)cc(Br)cc2S(=O)(=O)Cl)n1.
What is the InChIKey of 5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is QWAYQIXDAXDORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2O4S/c1-5-14-9(19-15-5)4-18-10-7(12)2-6(11)3-8(10)20(13,16)17/h2-3H,4H2,1H3.
What are the key properties of 5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride?
5-bromo-3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 402.05 g/mol, XLogP of 3.30, 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-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82910612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).