4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide

C22H16N4O4S — CID 50844230

IUPAC4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C22H16N4O4S/c23-14-16-6-12-20(13-7-16)31(27,28)26-18-8-10-19(11-9-18)29-15-21-24-25-22(30-21)17-4-2-1-3-5-17/h1-13,26H,15H2
InChIKeyWYUUMDJRWDBCEA-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.99
Rot. Bonds7

About 4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide

4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide (PubChem CID 50844230) has the molecular formula C22H16N4O4S and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide
PubChem CID50844230
Molecular FormulaC22H16N4O4S
Molecular Weight432.46 g/mol
Exact Mass432.09
IUPAC Name4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C22H16N4O4S/c23-14-16-6-12-20(13-7-16)31(27,28)26-18-8-10-19(11-9-18)29-15-21-24-25-22(30-21)17-4-2-1-3-5-17/h1-13,26H,15H2
InChIKeyWYUUMDJRWDBCEA-UHFFFAOYSA-N
XLogP3.99
TPSA118.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide
CID 50844261
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
CID 50843876
3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
CID 50844096
4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24506519
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide
CID 50843968
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 50844264
N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
CID 3735130
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060679

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide (CID 50844230) is 4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide?
The InChIKey is WYUUMDJRWDBCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4S/c23-14-16-6-12-20(13-7-16)31(27,28)26-18-8-10-19(11-9-18)29-15-21-24-25-22(30-21)17-4-2-1-3-5-17/h1-13,26H,15H2.
What are the key properties of 4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide?
4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide has a molecular weight of 432.46 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 50844230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).