3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride

C13H13ClN2O4S — CID 43866399

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C2CC2)n1
InChIInChI=1S/C13H13ClN2O4S/c1-2-19-11-6-5-9(21(14,17)18)7-10(11)12-15-13(20-16-12)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyOTXCWJZQIZNFHP-UHFFFAOYSA-N
MW328.78 g/mol
LogP2.94
Rot. Bonds5

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride (PubChem CID 43866399) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride
PubChem CID43866399
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C2CC2)n1
InChIInChI=1S/C13H13ClN2O4S/c1-2-19-11-6-5-9(21(14,17)18)7-10(11)12-15-13(20-16-12)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyOTXCWJZQIZNFHP-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride
CID 43866400
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride
CID 43866403
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide
CID 50747537
4-ethoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride
CID 43866414
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 92751686
3-(5-chloro-2-ethoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 102538099
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 53044941
3-(2-ethoxyphenyl)-5-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 27655967
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 46267411
3-[5-(4-benzylpiperazin-1-yl)sulfonyl-2-methoxyphenyl]-5-cyclohexyl-1,2,4-oxadiazole;hydrochloride
CID 146052232
3-(4-ethoxy-3-methoxyphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 46350406
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride (CID 43866399) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride is CCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C2CC2)n1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride?
The InChIKey is OTXCWJZQIZNFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c1-2-19-11-6-5-9(21(14,17)18)7-10(11)12-15-13(20-16-12)8-3-4-8/h5-8H,2-4H2,1H3.
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride has a molecular weight of 328.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride is sourced from PubChem (CID 43866399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).