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

C9H5Cl3N2O4S — CID 82910331

IUPAC3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OCc2ncon2)c(Cl)c1
InChIInChI=1S/C9H5Cl3N2O4S/c10-6-1-5(19(12,15)16)2-7(11)9(6)17-3-8-13-4-18-14-8/h1-2,4H,3H2
InChIKeyBCWRNVKTWUJIHQ-UHFFFAOYSA-N
MW343.58 g/mol
LogP2.88
Rot. Bonds4

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

3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (PubChem CID 82910331) has the molecular formula C9H5Cl3N2O4S and a molecular weight of 343.58 g/mol. Its IUPAC name is 3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
PubChem CID82910331
Molecular FormulaC9H5Cl3N2O4S
Molecular Weight343.58 g/mol
Exact Mass341.90
IUPAC Name3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OCc2ncon2)c(Cl)c1
InChIInChI=1S/C9H5Cl3N2O4S/c10-6-1-5(19(12,15)16)2-7(11)9(6)17-3-8-13-4-18-14-8/h1-2,4H,3H2
InChIKeyBCWRNVKTWUJIHQ-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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Related Compounds

3-Fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
CID 82915561
3,5-Difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
CID 82921326
3-[(2,6-Dichlorophenoxy)methyl]-1,2,4-oxadiazole
CID 19928654
3-[(2,4-Dichlorophenoxy)methyl]-1,2,4-oxadiazole
CID 23200218
3-[(2-Chlorophenoxy)methyl]-1,2,4-oxadiazole
CID 60702444
3,5-Dichloro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride
CID 65602746
3,5-Dichloro-4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride
CID 65607740
3,5-Dichloro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
CID 82909506
2,3-Dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
CID 82909569
5-Bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
CID 82910206
3,5-Dichloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82910254
3,5-Dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82910576

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride (CID 82910331) is 3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(OCc2ncon2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is BCWRNVKTWUJIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2O4S/c10-6-1-5(19(12,15)16)2-7(11)9(6)17-3-8-13-4-18-14-8/h1-2,4H,3H2.
What are the key properties of 3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride?
3,5-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 3,5-dichloro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82910331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).