2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride

C9H5Cl3N2O4S — CID 82909569

IUPAC2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ncon2)c(Cl)c1Cl
InChIInChI=1S/C9H5Cl3N2O4S/c10-8-5(17-3-7-13-4-18-14-7)1-2-6(9(8)11)19(12,15)16/h1-2,4H,3H2
InChIKeyFAIYLCLUANOLBM-UHFFFAOYSA-N
MW343.58 g/mol
LogP2.88
Rot. Bonds4

About 2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride

2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (PubChem CID 82909569) has the molecular formula C9H5Cl3N2O4S and a molecular weight of 343.58 g/mol. Its IUPAC name is 2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
PubChem CID82909569
Molecular FormulaC9H5Cl3N2O4S
Molecular Weight343.58 g/mol
Exact Mass341.90
IUPAC Name2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2ncon2)c(Cl)c1Cl
InChIInChI=1S/C9H5Cl3N2O4S/c10-8-5(17-3-7-13-4-18-14-7)1-2-6(9(8)11)19(12,15)16/h1-2,4H,3H2
InChIKeyFAIYLCLUANOLBM-UHFFFAOYSA-N
XLogP2.88
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (CID 82909569) is 2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCc2ncon2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is FAIYLCLUANOLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2O4S/c10-8-5(17-3-7-13-4-18-14-7)1-2-6(9(8)11)19(12,15)16/h1-2,4H,3H2.
What are the key properties of 2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride has a molecular weight of 343.58 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82909569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).