4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide

C18H18FN3O3S — CID 17462518

IUPAC4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c1-13(2)22(26(23,24)16-10-8-15(19)9-11-16)12-17-20-21-18(25-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyNHOXMUFTBFFYFM-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.47
Rot. Bonds6

About 4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide

4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 17462518) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID17462518
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c1-13(2)22(26(23,24)16-10-8-15(19)9-11-16)12-17-20-21-18(25-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyNHOXMUFTBFFYFM-UHFFFAOYSA-N
XLogP3.47
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide (CID 17462518) is 4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide is CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NHOXMUFTBFFYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-13(2)22(26(23,24)16-10-8-15(19)9-11-16)12-17-20-21-18(25-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 17462518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).