1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide

C10H10BrN3O3S — CID 83084278

IUPAC1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
SMILESCc1nnc(-c2ccccc2NS(=O)(=O)CBr)o1
InChIInChI=1S/C10H10BrN3O3S/c1-7-12-13-10(17-7)8-4-2-3-5-9(8)14-18(15,16)6-11/h2-5,14H,6H2,1H3
InChIKeyNKCSUEKSBWZHCV-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.14
Rot. Bonds4

About 1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide

1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide (PubChem CID 83084278) has the molecular formula C10H10BrN3O3S and a molecular weight of 332.18 g/mol. Its IUPAC name is 1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
PubChem CID83084278
Molecular FormulaC10H10BrN3O3S
Molecular Weight332.18 g/mol
Exact Mass330.96
IUPAC Name1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
SMILESCc1nnc(-c2ccccc2NS(=O)(=O)CBr)o1
InChIInChI=1S/C10H10BrN3O3S/c1-7-12-13-10(17-7)8-4-2-3-5-9(8)14-18(15,16)6-11/h2-5,14H,6H2,1H3
InChIKeyNKCSUEKSBWZHCV-UHFFFAOYSA-N
XLogP2.14
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide (CID 83084278) is 1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide is Cc1nnc(-c2ccccc2NS(=O)(=O)CBr)o1.
What is the InChIKey of 1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide?
The InChIKey is NKCSUEKSBWZHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3S/c1-7-12-13-10(17-7)8-4-2-3-5-9(8)14-18(15,16)6-11/h2-5,14H,6H2,1H3.
What are the key properties of 1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide?
1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide has a molecular weight of 332.18 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 83084278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).