N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide

C16H14FN3O5S2 — CID 9189572

IUPACN-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)c1nnc(CNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C16H14FN3O5S2/c17-13-8-6-12(7-9-13)11-26(21,22)16-20-19-15(25-16)10-18-27(23,24)14-4-2-1-3-5-14/h1-9,18H,10-11H2
InChIKeyXJTBHLFFXGPPII-UHFFFAOYSA-N
MW411.44 g/mol
LogP1.66
Rot. Bonds7

About N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide

N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 9189572) has the molecular formula C16H14FN3O5S2 and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
PubChem CID9189572
Molecular FormulaC16H14FN3O5S2
Molecular Weight411.44 g/mol
Exact Mass411.04
IUPAC NameN-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)c1nnc(CNS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C16H14FN3O5S2/c17-13-8-6-12(7-9-13)11-26(21,22)16-20-19-15(25-16)10-18-27(23,24)14-4-2-1-3-5-14/h1-9,18H,10-11H2
InChIKeyXJTBHLFFXGPPII-UHFFFAOYSA-N
XLogP1.66
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662153
N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662151
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-2-carboxamide
CID 9189643
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 9190102
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 9189649
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methylbutanamide
CID 9189591
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide
CID 9189646
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide
CID 9189406
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
4-fluoro-N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 9190243
1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea
CID 9189459
N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbutanamide
CID 9190207

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (CID 9189572) is N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is O=S(=O)(Cc1ccc(F)cc1)c1nnc(CNS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is XJTBHLFFXGPPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O5S2/c17-13-8-6-12(7-9-13)11-26(21,22)16-20-19-15(25-16)10-18-27(23,24)14-4-2-1-3-5-14/h1-9,18H,10-11H2.
What are the key properties of N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 411.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 9189572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).