4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C12H12ClN3O3S — CID 165351237

IUPAC4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2CCC2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O3S/c13-9-4-6-10(7-5-9)20(17,18)16-12-15-14-11(19-12)8-2-1-3-8/h4-8H,1-3H2,(H,15,16)
InChIKeyJABNRBFBKIJXEH-UHFFFAOYSA-N
MW313.77 g/mol
LogP2.79
Rot. Bonds4

About 4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 165351237) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID165351237
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2CCC2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O3S/c13-9-4-6-10(7-5-9)20(17,18)16-12-15-14-11(19-12)8-2-1-3-8/h4-8H,1-3H2,(H,15,16)
InChIKeyJABNRBFBKIJXEH-UHFFFAOYSA-N
XLogP2.79
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyridine-3-sulfonamide
CID 61051190
5-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608472
4-bromo-2,6-dichloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 61215542
4-chloro-N-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]benzenesulfonamide
CID 50823101
4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide
CID 116528347
6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872600
5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 83875168
4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 104826666
4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4574435
2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-cycloheptylfuran-2-sulfonamide
CID 53175630
3-chloro-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylpropane-1-sulfonamide
CID 79586280

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 165351237) is 4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nnc(C2CCC2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is JABNRBFBKIJXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c13-9-4-6-10(7-5-9)20(17,18)16-12-15-14-11(19-12)8-2-1-3-8/h4-8H,1-3H2,(H,15,16).
What are the key properties of 4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 313.77 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 165351237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).