4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide

C13H19ClN2O3S — CID 57202265

IUPAC4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c14-11-3-5-13(6-4-11)20(18,19)15-7-9-16-8-1-2-12(17)10-16/h3-6,12,15,17H,1-2,7-10H2
InChIKeyLILRIOQRJCYOEJ-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.08
Rot. Bonds5

About 4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide

4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 57202265) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide
PubChem CID57202265
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c14-11-3-5-13(6-4-11)20(18,19)15-7-9-16-8-1-2-12(17)10-16/h3-6,12,15,17H,1-2,7-10H2
InChIKeyLILRIOQRJCYOEJ-UHFFFAOYSA-N
XLogP1.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 39894569
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 42913567
4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 47206414
4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 3527050
3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94081691
(3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol
CID 94156277
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943
N-[3-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-chlorobenzenesulfonamide
CID 9294726
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-chlorophenyl)benzenesulfonamide
CID 162364662
4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 2236890

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide (CID 57202265) is 4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCN1CCCC(O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is LILRIOQRJCYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c14-11-3-5-13(6-4-11)20(18,19)15-7-9-16-8-1-2-12(17)10-16/h3-6,12,15,17H,1-2,7-10H2.
What are the key properties of 4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-hydroxypiperidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 57202265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).