5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C15H14BrN3O5S — CID 136533985

IUPAC5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)Nc1nnc(-c2ccoc2C)o1
InChIInChI=1S/C15H14BrN3O5S/c1-8-6-12(22-3)13(7-11(8)16)25(20,21)19-15-18-17-14(24-15)10-4-5-23-9(10)2/h4-7H,1-3H3,(H,18,19)
InChIKeyLFKRQLSUZSPYDB-UHFFFAOYSA-N
MW428.26 g/mol
LogP3.52
Rot. Bonds5

About 5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 136533985) has the molecular formula C15H14BrN3O5S and a molecular weight of 428.26 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID136533985
Molecular FormulaC15H14BrN3O5S
Molecular Weight428.26 g/mol
Exact Mass426.98
IUPAC Name5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)Nc1nnc(-c2ccoc2C)o1
InChIInChI=1S/C15H14BrN3O5S/c1-8-6-12(22-3)13(7-11(8)16)25(20,21)19-15-18-17-14(24-15)10-4-5-23-9(10)2/h4-7H,1-3H3,(H,18,19)
InChIKeyLFKRQLSUZSPYDB-UHFFFAOYSA-N
XLogP3.52
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine
CID 75446141
5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide
CID 9267366
5-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167824562
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 119988082
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methoxy-4-methylbenzenesulfonamide
CID 27262155
1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide
CID 132972130
5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 6978351
4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide
CID 138021196
5-bromo-2-methoxy-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715849
N-(3-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119972422
N-(4-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 120583356
3-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071454

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 136533985) is 5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nnc(-c2ccoc2C)o1.
What is the InChIKey of 5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is LFKRQLSUZSPYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O5S/c1-8-6-12(22-3)13(7-11(8)16)25(20,21)19-15-18-17-14(24-15)10-4-5-23-9(10)2/h4-7H,1-3H3,(H,18,19).
What are the key properties of 5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 428.26 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 136533985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).