4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide

C18H19N3O2S — CID 3856559

IUPAC4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C18H19N3O2S/c19-14-15-4-10-18(11-5-15)24(22,23)20-16-6-8-17(9-7-16)21-12-2-1-3-13-21/h4-11,20H,1-3,12-13H2
InChIKeySWYVEVQBULMCPT-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.35
Rot. Bonds4

About 4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide

4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 3856559) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID3856559
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C18H19N3O2S/c19-14-15-4-10-18(11-5-15)24(22,23)20-16-6-8-17(9-7-16)21-12-2-1-3-13-21/h4-11,20H,1-3,12-13H2
InChIKeySWYVEVQBULMCPT-UHFFFAOYSA-N
XLogP3.35
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 22220341
4-cyano-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122354871
4-[4-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]benzonitrile
CID 55703622
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
N-(4-cyanophenyl)piperidine-1-sulfonamide
CID 28785044
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3703667
4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile
CID 158355573

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide (CID 3856559) is 4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is SWYVEVQBULMCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c19-14-15-4-10-18(11-5-15)24(22,23)20-16-6-8-17(9-7-16)21-12-2-1-3-13-21/h4-11,20H,1-3,12-13H2.
What are the key properties of 4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 3856559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).