5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide

C16H14FN3O4S — CID 53175599

IUPAC5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)c(F)c1
InChIInChI=1S/C16H14FN3O4S/c1-9-2-5-12(11(17)8-9)20-25(21,22)14-7-6-13(23-14)16-19-18-15(24-16)10-3-4-10/h2,5-8,10,20H,3-4H2,1H3
InChIKeyWSHYWOCEALIVFX-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.46
Rot. Bonds5

About 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide (PubChem CID 53175599) has the molecular formula C16H14FN3O4S and a molecular weight of 363.37 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide
PubChem CID53175599
Molecular FormulaC16H14FN3O4S
Molecular Weight363.37 g/mol
Exact Mass363.07
IUPAC Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)c(F)c1
InChIInChI=1S/C16H14FN3O4S/c1-9-2-5-12(11(17)8-9)20-25(21,22)14-7-6-13(23-14)16-19-18-15(24-16)10-3-4-10/h2,5-8,10,20H,3-4H2,1H3
InChIKeyWSHYWOCEALIVFX-UHFFFAOYSA-N
XLogP3.46
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)furan-2-sulfonamide
CID 53175598
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methylphenyl)furan-2-sulfonamide
CID 53175564
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(5-fluoro-2-methylphenyl)furan-2-sulfonamide
CID 53175653
N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175567
5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]furan-2-sulfonamide
CID 53175709
5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide
CID 53175685
N-(2,4-dimethylphenyl)-5-(5-ethyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175472
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)furan-2-sulfonamide
CID 53175627
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-cycloheptylfuran-2-sulfonamide
CID 53175630
N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068247
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53154926
N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106031076

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide?
The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide (CID 53175599) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide?
The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)c(F)c1.
What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide?
The InChIKey is WSHYWOCEALIVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4S/c1-9-2-5-12(11(17)8-9)20-25(21,22)14-7-6-13(23-14)16-19-18-15(24-16)10-3-4-10/h2,5-8,10,20H,3-4H2,1H3.
What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide?
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide has a molecular weight of 363.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide is sourced from PubChem (CID 53175599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).