4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide

C17H23N3O3S — CID 49064767

IUPAC4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C#N)CC2)cc1
InChIInChI=1S/C17H23N3O3S/c1-3-20(4-2)24(22,23)16-7-5-15(6-8-16)17(21)19-11-9-14(13-18)10-12-19/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyJNTGZHVSICTLSW-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.09
Rot. Bonds5

About 4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide

4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide (PubChem CID 49064767) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
PubChem CID49064767
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C#N)CC2)cc1
InChIInChI=1S/C17H23N3O3S/c1-3-20(4-2)24(22,23)16-7-5-15(6-8-16)17(21)19-11-9-14(13-18)10-12-19/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyJNTGZHVSICTLSW-UHFFFAOYSA-N
XLogP2.09
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 9093923
1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile
CID 49064132
1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364113
4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 121156681
1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987670
4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 2316598
4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 122279277
4-[(3R)-3-cyanopiperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365293
3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 18143310
N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
CID 47014257
N,N-diethyl-4-[3-(2-methylpropylsulfonyl)azetidine-1-carbonyl]benzenesulfonamide
CID 90594284
4-(4-cyanopiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 49064443

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide (CID 49064767) is 4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C#N)CC2)cc1.
What is the InChIKey of 4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide?
The InChIKey is JNTGZHVSICTLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-20(4-2)24(22,23)16-7-5-15(6-8-16)17(21)19-11-9-14(13-18)10-12-19/h5-8,14H,3-4,9-12H2,1-2H3.
What are the key properties of 4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide?
4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 49064767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).