3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide

C15H19N3O4S — CID 50747537

IUPAC3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1-c1noc(C2CCCCC2)n1
InChIInChI=1S/C15H19N3O4S/c1-21-13-8-7-11(23(16,19)20)9-12(13)14-17-15(22-18-14)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,16,19,20)
InChIKeyCHJINZXTZHBQFL-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.44
Rot. Bonds4

About 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide

3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide (PubChem CID 50747537) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide
PubChem CID50747537
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1-c1noc(C2CCCCC2)n1
InChIInChI=1S/C15H19N3O4S/c1-21-13-8-7-11(23(16,19)20)9-12(13)14-17-15(22-18-14)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,16,19,20)
InChIKeyCHJINZXTZHBQFL-UHFFFAOYSA-N
XLogP2.44
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 53044941
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 46267411
5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 165475619
3-[5-(4-benzylpiperazin-1-yl)sulfonyl-2-methoxyphenyl]-5-cyclohexyl-1,2,4-oxadiazole;hydrochloride
CID 146052232
5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 957265
4-[(1S,2S)-2-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448190
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-ethoxybenzenesulfonyl chloride
CID 43866399
5-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 847024
3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 95733041
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2986760
4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 136535361
3-(6-bromo-5-methoxy-2-pyridinyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 136561315

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide (CID 50747537) is 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1-c1noc(C2CCCCC2)n1.
What is the InChIKey of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide?
The InChIKey is CHJINZXTZHBQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-21-13-8-7-11(23(16,19)20)9-12(13)14-17-15(22-18-14)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,16,19,20).
What are the key properties of 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide?
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 50747537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).