5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide

C8H9BrN4O3S2 — CID 106410879

IUPAC5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCc2ncon2)c(Br)s1
InChIInChI=1S/C8H9BrN4O3S2/c9-8-6(1-5(2-10)17-8)18(14,15)12-3-7-11-4-16-13-7/h1,4,12H,2-3,10H2
InChIKeyGXUZBATZWYPVTE-UHFFFAOYSA-N
MW353.22 g/mol
LogP0.83
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106410879) has the molecular formula C8H9BrN4O3S2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
PubChem CID106410879
Molecular FormulaC8H9BrN4O3S2
Molecular Weight353.22 g/mol
Exact Mass351.93
IUPAC Name5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCc2ncon2)c(Br)s1
InChIInChI=1S/C8H9BrN4O3S2/c9-8-6(1-5(2-10)17-8)18(14,15)12-3-7-11-4-16-13-7/h1,4,12H,2-3,10H2
InChIKeyGXUZBATZWYPVTE-UHFFFAOYSA-N
XLogP0.83
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106411026
5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106411081
2-(aminomethyl)-5-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410838
5-amino-2-bromo-4-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392188
5-(aminomethyl)-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106377999
5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106395240
5-amino-2,3-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392115
5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106378250
5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392187
5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106015627
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106383980

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide (CID 106410879) is 5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)NCc2ncon2)c(Br)s1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is GXUZBATZWYPVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O3S2/c9-8-6(1-5(2-10)17-8)18(14,15)12-3-7-11-4-16-13-7/h1,4,12H,2-3,10H2.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 353.22 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106410879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).