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

C11H12ClN3O3S — CID 75448323

IUPAC2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCC(C)c1nc(NS(=O)(=O)c2ccccc2Cl)no1
InChIInChI=1S/C11H12ClN3O3S/c1-7(2)10-13-11(14-18-10)15-19(16,17)9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H,14,15)
InChIKeyOLPAMVHRAJIGNT-UHFFFAOYSA-N
MW301.75 g/mol
LogP2.65
Rot. Bonds4

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

2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 75448323) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID75448323
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.75 g/mol
Exact Mass301.03
IUPAC Name2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCC(C)c1nc(NS(=O)(=O)c2ccccc2Cl)no1
InChIInChI=1S/C11H12ClN3O3S/c1-7(2)10-13-11(14-18-10)15-19(16,17)9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H,14,15)
InChIKeyOLPAMVHRAJIGNT-UHFFFAOYSA-N
XLogP2.65
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 75448323) is 2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is CC(C)c1nc(NS(=O)(=O)c2ccccc2Cl)no1.
What is the InChIKey of 2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is OLPAMVHRAJIGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-7(2)10-13-11(14-18-10)15-19(16,17)9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide has a molecular weight of 301.75 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 75448323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).