2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride

C13H13ClN2O4S — CID 82911885

IUPAC2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride
SMILESCc1ccc(OCc2nc(C3CC3)no2)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H13ClN2O4S/c1-8-2-5-10(11(6-8)21(14,17)18)19-7-12-15-13(16-20-12)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3
InChIKeyXLCYIBSKRYOPPQ-UHFFFAOYSA-N
MW328.78 g/mol
LogP2.76
Rot. Bonds5

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

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride (PubChem CID 82911885) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride
PubChem CID82911885
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride
SMILESCc1ccc(OCc2nc(C3CC3)no2)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H13ClN2O4S/c1-8-2-5-10(11(6-8)21(14,17)18)19-7-12-15-13(16-20-12)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3
InChIKeyXLCYIBSKRYOPPQ-UHFFFAOYSA-N
XLogP2.76
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide
CID 82912816
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide
CID 82913730
5-[(5-bromo-2-methylphenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 107284094
(1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78931347
2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 61028881
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenol
CID 137179894
5-methyl-2-(oxan-2-ylmethoxy)benzenesulfonyl chloride
CID 43591843
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(3-methylpyrazin-2-yl)phenyl]oxidanium
CID 144623451
[3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 63044787
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile
CID 91659594
[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 54959648
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 61496080

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride (CID 82911885) is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride is Cc1ccc(OCc2nc(C3CC3)no2)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride?
The InChIKey is XLCYIBSKRYOPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c1-8-2-5-10(11(6-8)21(14,17)18)19-7-12-15-13(16-20-12)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride?
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride has a molecular weight of 328.78 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82911885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).