2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C13H16Cl2N2O3S — CID 39668267

IUPAC2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(Cl)c1Cl)N1CCCCC1
InChIInChI=1S/C13H16Cl2N2O3S/c14-10-5-4-6-11(13(10)15)21(19,20)16-9-12(18)17-7-2-1-3-8-17/h4-6,16H,1-3,7-9H2
InChIKeyZSMJTKAIDNYUBY-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.28
Rot. Bonds4

About 2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 39668267) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID39668267
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(Cl)c1Cl)N1CCCCC1
InChIInChI=1S/C13H16Cl2N2O3S/c14-10-5-4-6-11(13(10)15)21(19,20)16-9-12(18)17-7-2-1-3-8-17/h4-6,16H,1-3,7-9H2
InChIKeyZSMJTKAIDNYUBY-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid
CID 139889249
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533
2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 110712522
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112994676
3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597777
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide
CID 9082260
3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 78862170
2-chloro-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 27375956

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 39668267) is 2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is O=C(CNS(=O)(=O)c1cccc(Cl)c1Cl)N1CCCCC1.
What is the InChIKey of 2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is ZSMJTKAIDNYUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c14-10-5-4-6-11(13(10)15)21(19,20)16-9-12(18)17-7-2-1-3-8-17/h4-6,16H,1-3,7-9H2.
What are the key properties of 2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 351.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 39668267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).