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

C14H17ClN2O4S — CID 43866403

IUPAC3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C(C)(C)C)n1
InChIInChI=1S/C14H17ClN2O4S/c1-5-20-11-7-6-9(22(15,18)19)8-10(11)12-16-13(21-17-12)14(2,3)4/h6-8H,5H2,1-4H3
InChIKeyGRAJJYLFIBAKFZ-UHFFFAOYSA-N
MW344.82 g/mol
LogP3.36
Rot. Bonds4

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

3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride (PubChem CID 43866403) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride
PubChem CID43866403
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C(C)(C)C)n1
InChIInChI=1S/C14H17ClN2O4S/c1-5-20-11-7-6-9(22(15,18)19)8-10(11)12-16-13(21-17-12)14(2,3)4/h6-8H,5H2,1-4H3
InChIKeyGRAJJYLFIBAKFZ-UHFFFAOYSA-N
XLogP3.36
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl chloride
CID 43866400
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride
CID 43866399
4-ethoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride
CID 43866414
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46267377
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 92870386
carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride
CID 160634614
4-cyano-3-ethoxybenzenesulfonyl chloride
CID 55280879
4-ethoxy-3-nitrobenzenesulfonyl chloride
CID 21412386
3-cyano-4-ethoxybenzenesulfonyl chloride;2-ethoxybenzonitrile
CID 158306651
5-tert-butyl-3-[5-cyclopropyl-4-(4-methylsulfonylphenoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 86276039
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 82917859
4-ethoxy-3-(1-methyl-3-propyl-7-sulfanylidene-4H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonyl chloride
CID 23139638

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride?
The IUPAC name of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride (CID 43866403) is 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride?
The canonical SMILES for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride is CCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C(C)(C)C)n1.
What is the InChIKey of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride?
The InChIKey is GRAJJYLFIBAKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-5-20-11-7-6-9(22(15,18)19)8-10(11)12-16-13(21-17-12)14(2,3)4/h6-8H,5H2,1-4H3.
What are the key properties of 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride?
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride has a molecular weight of 344.82 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride is sourced from PubChem (CID 43866403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).