2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide

C13H18Cl2N2O2S — CID 25037231

IUPAC2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O2S/c14-11-4-5-12(15)13(10-11)20(18,19)16-6-9-17-7-2-1-3-8-17/h4-5,10,16H,1-3,6-9H2
InChIKeyCMTSPOWAUOXRPE-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.76
Rot. Bonds5

About 2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide

2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 25037231) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID25037231
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O2S/c14-11-4-5-12(15)13(10-11)20(18,19)16-6-9-17-7-2-1-3-8-17/h4-5,10,16H,1-3,6-9H2
InChIKeyCMTSPOWAUOXRPE-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206353
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 4227983
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206367
2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42388791
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 103989092
2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 50875284
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
2,5-dichloro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327483
2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline
CID 54806085
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide (CID 25037231) is 2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is CMTSPOWAUOXRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c14-11-4-5-12(15)13(10-11)20(18,19)16-6-9-17-7-2-1-3-8-17/h4-5,10,16H,1-3,6-9H2.
What are the key properties of 2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 25037231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).