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

C10H9ClN2O4S — CID 82916377

IUPAC4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
SMILESCc1noc(COc2ccc(S(=O)(=O)Cl)cc2)n1
InChIInChI=1S/C10H9ClN2O4S/c1-7-12-10(17-13-7)6-16-8-2-4-9(5-3-8)18(11,14)15/h2-5H,6H2,1H3
InChIKeySHBNDVIXAGDMCV-UHFFFAOYSA-N
MW288.71 g/mol
LogP1.88
Rot. Bonds4

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

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82916377) has the molecular formula C10H9ClN2O4S and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
PubChem CID82916377
Molecular FormulaC10H9ClN2O4S
Molecular Weight288.71 g/mol
Exact Mass288.00
IUPAC Name4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
SMILESCc1noc(COc2ccc(S(=O)(=O)Cl)cc2)n1
InChIInChI=1S/C10H9ClN2O4S/c1-7-12-10(17-13-7)6-16-8-2-4-9(5-3-8)18(11,14)15/h2-5H,6H2,1H3
InChIKeySHBNDVIXAGDMCV-UHFFFAOYSA-N
XLogP1.88
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
CID 82917403
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82915719
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376
3-(4-methylphenyl)-5-[(4-methylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 78803769
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931052
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 43503686
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82913829
[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine
CID 79776627
4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 60879201
2-amino-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetamide;hydrochloride
CID 119322902
3-methyl-5-[[4-(4-methyl-2-nitrophenoxy)phenoxy]methyl]-1,2,4-oxadiazole
CID 133389712

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride (CID 82916377) is 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride is Cc1noc(COc2ccc(S(=O)(=O)Cl)cc2)n1.
What is the InChIKey of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is SHBNDVIXAGDMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O4S/c1-7-12-10(17-13-7)6-16-8-2-4-9(5-3-8)18(11,14)15/h2-5H,6H2,1H3.
What are the key properties of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride?
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 288.71 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82916377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).