N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide

C18H14F2N4O3S — CID 71079328

IUPACN-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide
SMILESCC(F)(F)S(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)o2)c1
InChIInChI=1S/C18H14F2N4O3S/c1-18(19,20)28(25,26)24-15-4-2-3-14(9-15)23-17-22-11-16(27-17)13-7-5-12(10-21)6-8-13/h2-9,11,24H,1H3,(H,22,23)
InChIKeySANVSIFGOXHFSY-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.31
Rot. Bonds6

About N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide

N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide (PubChem CID 71079328) has the molecular formula C18H14F2N4O3S and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide
PubChem CID71079328
Molecular FormulaC18H14F2N4O3S
Molecular Weight404.40 g/mol
Exact Mass404.08
IUPAC NameN-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide
SMILESCC(F)(F)S(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)o2)c1
InChIInChI=1S/C18H14F2N4O3S/c1-18(19,20)28(25,26)24-15-4-2-3-14(9-15)23-17-22-11-16(27-17)13-7-5-12(10-21)6-8-13/h2-9,11,24H,1H3,(H,22,23)
InChIKeySANVSIFGOXHFSY-UHFFFAOYSA-N
XLogP4.31
TPSA108.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide?
The IUPAC name of N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide (CID 71079328) is N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide.
What is the SMILES notation for N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide?
The canonical SMILES for N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide is CC(F)(F)S(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)o2)c1.
What is the InChIKey of N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide?
The InChIKey is SANVSIFGOXHFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O3S/c1-18(19,20)28(25,26)24-15-4-2-3-14(9-15)23-17-22-11-16(27-17)13-7-5-12(10-21)6-8-13/h2-9,11,24H,1H3,(H,22,23).
What are the key properties of N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide?
N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide has a molecular weight of 404.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide is sourced from PubChem (CID 71079328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).