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

C23H27ClN2O4S — CID 26080208

IUPAC3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C23H27ClN2O4S/c1-3-26(4-2)31(29,30)19-10-11-21(24)20(16-19)23(28)25-14-12-18(13-15-25)22(27)17-8-6-5-7-9-17/h5-11,16,18H,3-4,12-15H2,1-2H3
InChIKeyPIAFAZDSLOADCU-UHFFFAOYSA-N
MW463.00 g/mol
LogP4.11
Rot. Bonds7

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

3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide (PubChem CID 26080208) has the molecular formula C23H27ClN2O4S and a molecular weight of 463.00 g/mol. Its IUPAC name is 3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide
PubChem CID26080208
Molecular FormulaC23H27ClN2O4S
Molecular Weight463.00 g/mol
Exact Mass462.14
IUPAC Name3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C23H27ClN2O4S/c1-3-26(4-2)31(29,30)19-10-11-21(24)20(16-19)23(28)25-14-12-18(13-15-25)22(27)17-8-6-5-7-9-17/h5-11,16,18H,3-4,12-15H2,1-2H3
InChIKeyPIAFAZDSLOADCU-UHFFFAOYSA-N
XLogP4.11
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 18143310
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
4-chloro-N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 60525436
(2S)-1-[2-chloro-5-(diethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 41273093
N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24540046
N,N-diethyl-4-methyl-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340112
4-chloro-3-(4-ethylpiperazin-4-ium-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
CID 2334711
4-chloro-N,N-diethyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 31328097
N,N-diethyl-4-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 60559116
2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
CID 107397553
1-(2-chlorobenzoyl)-N-[4-(dipropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223467

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide (CID 26080208) is 3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide?
The InChIKey is PIAFAZDSLOADCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4S/c1-3-26(4-2)31(29,30)19-10-11-21(24)20(16-19)23(28)25-14-12-18(13-15-25)22(27)17-8-6-5-7-9-17/h5-11,16,18H,3-4,12-15H2,1-2H3.
What are the key properties of 3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide?
3-(4-benzoylpiperidine-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide has a molecular weight of 463.00 g/mol, XLogP of 4.11, 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)-4-chloro-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 26080208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).