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

C15H14BrN3O5S — CID 166198613

IUPAC5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide
SMILESCOc1ccc(-c2nnc(-c3ccc(S(=O)(=O)N(C)C)o3)o2)cc1Br
InChIInChI=1S/C15H14BrN3O5S/c1-19(2)25(20,21)13-7-6-12(23-13)15-18-17-14(24-15)9-4-5-11(22-3)10(16)8-9/h4-8H,1-3H3
InChIKeyOLARFQIGNXPYQB-UHFFFAOYSA-N
MW428.26 g/mol
LogP3.02
Rot. Bonds5

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

5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 166198613) has the molecular formula C15H14BrN3O5S and a molecular weight of 428.26 g/mol. Its IUPAC name is 5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID166198613
Molecular FormulaC15H14BrN3O5S
Molecular Weight428.26 g/mol
Exact Mass426.98
IUPAC Name5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide
SMILESCOc1ccc(-c2nnc(-c3ccc(S(=O)(=O)N(C)C)o3)o2)cc1Br
InChIInChI=1S/C15H14BrN3O5S/c1-19(2)25(20,21)13-7-6-12(23-13)15-18-17-14(24-15)9-4-5-11(22-3)10(16)8-9/h4-8H,1-3H3
InChIKeyOLARFQIGNXPYQB-UHFFFAOYSA-N
XLogP3.02
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide with MolForge

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Related Compounds

2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
CID 114771100
methyl 5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619105
2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole
CID 166198597
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489418
5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 61033704
2-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163085
N-[[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137567
2-(3,4-dimethoxyphenyl)-5-ethylsulfonyl-1,3,4-oxadiazole
CID 56957991
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
5-(3-bromo-4-methoxyphenyl)-2-(chloromethyl)-1,3-oxazole
CID 65179454

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide (CID 166198613) is 5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide is COc1ccc(-c2nnc(-c3ccc(S(=O)(=O)N(C)C)o3)o2)cc1Br.
What is the InChIKey of 5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is OLARFQIGNXPYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O5S/c1-19(2)25(20,21)13-7-6-12(23-13)15-18-17-14(24-15)9-4-5-11(22-3)10(16)8-9/h4-8H,1-3H3.
What are the key properties of 5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide?
5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 428.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 166198613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).