4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide

C18H17N3O3S — CID 22220341

IUPAC4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(=O)CC3)cc2)cc1
InChIInChI=1S/C18H17N3O3S/c19-13-14-1-7-18(8-2-14)25(23,24)20-15-3-5-16(6-4-15)21-11-9-17(22)10-12-21/h1-8,20H,9-12H2
InChIKeyZICDVUJGNBMKMC-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.53
Rot. Bonds4

About 4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide

4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 22220341) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide
PubChem CID22220341
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(=O)CC3)cc2)cc1
InChIInChI=1S/C18H17N3O3S/c19-13-14-1-7-18(8-2-14)25(23,24)20-15-3-5-16(6-4-15)21-11-9-17(22)10-12-21/h1-8,20H,9-12H2
InChIKeyZICDVUJGNBMKMC-UHFFFAOYSA-N
XLogP2.53
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3856559
N-[4-(4-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 22220436
4-cyano-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122354871
4-(3-oxopyrrolidin-1-yl)benzonitrile
CID 55265477
4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 22220503
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55850324
N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629212
4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 42998815
4-cyano-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297534
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide (CID 22220341) is 4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(=O)CC3)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is ZICDVUJGNBMKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c19-13-14-1-7-18(8-2-14)25(23,24)20-15-3-5-16(6-4-15)21-11-9-17(22)10-12-21/h1-8,20H,9-12H2.
What are the key properties of 4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22220341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).