N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

C20H15BrFN3O4S — CID 2110790

IUPACN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1ccco1)Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C20H15BrFN3O4S/c21-16-8-2-1-7-15(16)20-24-23-19(29-20)13-25(12-14-6-5-11-28-14)30(26,27)18-10-4-3-9-17(18)22/h1-11H,12-13H2
InChIKeyHZDPTKWJPKSCBT-UHFFFAOYSA-N
MW492.33 g/mol
LogP4.62
Rot. Bonds7

About N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 2110790) has the molecular formula C20H15BrFN3O4S and a molecular weight of 492.33 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID2110790
Molecular FormulaC20H15BrFN3O4S
Molecular Weight492.33 g/mol
Exact Mass491.00
IUPAC NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1ccco1)Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C20H15BrFN3O4S/c21-16-8-2-1-7-15(16)20-24-23-19(29-20)13-25(12-14-6-5-11-28-14)30(26,27)18-10-4-3-9-17(18)22/h1-11H,12-13H2
InChIKeyHZDPTKWJPKSCBT-UHFFFAOYSA-N
XLogP4.62
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.33
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 2110790) is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1F)N(Cc1ccco1)Cc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is HZDPTKWJPKSCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFN3O4S/c21-16-8-2-1-7-15(16)20-24-23-19(29-20)13-25(12-14-6-5-11-28-14)30(26,27)18-10-4-3-9-17(18)22/h1-11H,12-13H2.
What are the key properties of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 492.33 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2110790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).