3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide

C23H28N2O4S — CID 18143310

IUPAC3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O4S/c1-3-25(4-2)30(28,29)21-12-8-11-20(17-21)23(27)24-15-13-19(14-16-24)22(26)18-9-6-5-7-10-18/h5-12,17,19H,3-4,13-16H2,1-2H3
InChIKeyVHJBJDCXFLIMBU-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.45
Rot. Bonds7

About 3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide

3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide (PubChem CID 18143310) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
PubChem CID18143310
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O4S/c1-3-25(4-2)30(28,29)21-12-8-11-20(17-21)23(27)24-15-13-19(14-16-24)22(26)18-9-6-5-7-10-18/h5-12,17,19H,3-4,13-16H2,1-2H3
InChIKeyVHJBJDCXFLIMBU-UHFFFAOYSA-N
XLogP3.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide
CID 26080208
N,N-diethyl-3-(3-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 60559058
[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 41309553
3-(1,4-diazepane-1-carbonyl)-N,N-diethylbenzenesulfonamide;hydrochloride
CID 119416501
3-[4-(adamantane-1-carbonyl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 55474093
ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46684274
[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
CID 119699757
3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 42906998
N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073522
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075
3-[(3R)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378592
N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119396973

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide (CID 18143310) is 3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide?
The InChIKey is VHJBJDCXFLIMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-3-25(4-2)30(28,29)21-12-8-11-20(17-21)23(27)24-15-13-19(14-16-24)22(26)18-9-6-5-7-10-18/h5-12,17,19H,3-4,13-16H2,1-2H3.
What are the key properties of 3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide?
3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide has a molecular weight of 428.55 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 18143310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).