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

C8H8BrN3O3S2 — CID 54952391

IUPAC3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCc1noc(CNS(=O)(=O)c2sccc2Br)n1
InChIInChI=1S/C8H8BrN3O3S2/c1-5-11-7(15-12-5)4-10-17(13,14)8-6(9)2-3-16-8/h2-3,10H,4H2,1H3
InChIKeyRZKKZTHSLFCWBM-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.68
Rot. Bonds4

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

3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide (PubChem CID 54952391) has the molecular formula C8H8BrN3O3S2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
PubChem CID54952391
Molecular FormulaC8H8BrN3O3S2
Molecular Weight338.21 g/mol
Exact Mass336.92
IUPAC Name3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCc1noc(CNS(=O)(=O)c2sccc2Br)n1
InChIInChI=1S/C8H8BrN3O3S2/c1-5-11-7(15-12-5)4-10-17(13,14)8-6(9)2-3-16-8/h2-3,10H,4H2,1H3
InChIKeyRZKKZTHSLFCWBM-UHFFFAOYSA-N
XLogP1.68
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106406982
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391973
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
3-bromo-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61072677
3-bromo-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoic acid
CID 61013879
3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide
CID 115588809
3-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 61073302
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 54951923
3-bromo-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 61073396
N-[(3-amino-2-methylphenyl)methyl]-3-bromothiophene-2-sulfonamide
CID 103110455

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide (CID 54952391) is 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide is Cc1noc(CNS(=O)(=O)c2sccc2Br)n1.
What is the InChIKey of 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is RZKKZTHSLFCWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O3S2/c1-5-11-7(15-12-5)4-10-17(13,14)8-6(9)2-3-16-8/h2-3,10H,4H2,1H3.
What are the key properties of 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide?
3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 338.21 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 54952391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).