2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide

C12H11Cl2N3O3S — CID 146132755

IUPAC2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(=O)(=O)Nc2noc(C3CC3)n2)c1Cl
InChIInChI=1S/C12H11Cl2N3O3S/c1-6-2-5-8(13)10(9(6)14)21(18,19)17-12-15-11(20-16-12)7-3-4-7/h2,5,7H,3-4H2,1H3,(H,16,17)
InChIKeyBYQRCCSDDJZMIE-UHFFFAOYSA-N
MW348.21 g/mol
LogP3.36
Rot. Bonds4

About 2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide

2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide (PubChem CID 146132755) has the molecular formula C12H11Cl2N3O3S and a molecular weight of 348.21 g/mol. Its IUPAC name is 2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide
PubChem CID146132755
Molecular FormulaC12H11Cl2N3O3S
Molecular Weight348.21 g/mol
Exact Mass346.99
IUPAC Name2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(=O)(=O)Nc2noc(C3CC3)n2)c1Cl
InChIInChI=1S/C12H11Cl2N3O3S/c1-6-2-5-8(13)10(9(6)14)21(18,19)17-12-15-11(20-16-12)7-3-4-7/h2,5,7H,3-4H2,1H3,(H,16,17)
InChIKeyBYQRCCSDDJZMIE-UHFFFAOYSA-N
XLogP3.36
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide (CID 146132755) is 2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide is Cc1ccc(Cl)c(S(=O)(=O)Nc2noc(C3CC3)n2)c1Cl.
What is the InChIKey of 2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide?
The InChIKey is BYQRCCSDDJZMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O3S/c1-6-2-5-8(13)10(9(6)14)21(18,19)17-12-15-11(20-16-12)7-3-4-7/h2,5,7H,3-4H2,1H3,(H,16,17).
What are the key properties of 2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide?
2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide has a molecular weight of 348.21 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 146132755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).