3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide

C14H21ClN2O2S — CID 43654348

IUPAC3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C14H21ClN2O2S/c15-9-6-12-20(18,19)16-13-7-2-3-8-14(13)17-10-4-1-5-11-17/h2-3,7-8,16H,1,4-6,9-12H2
InChIKeyJPUYKHOPSORPIO-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.05
Rot. Bonds6

About 3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide

3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide (PubChem CID 43654348) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide
PubChem CID43654348
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C14H21ClN2O2S/c15-9-6-12-20(18,19)16-13-7-2-3-8-14(13)17-10-4-1-5-11-17/h2-3,7-8,16H,1,4-6,9-12H2
InChIKeyJPUYKHOPSORPIO-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[methylidene-(3-methylsulfonylpropyl)-oxo-λ6-sulfanyl]-2-piperidin-1-ylaniline
CID 167701227
5-chloro-N-(2-piperidin-1-ylphenyl)pentanamide
CID 43167914
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
4-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815655
3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
CID 43653977
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382
N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide
CID 110400368
3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide
CID 43654163
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 116815598
3-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-1-sulfonamide
CID 60959543
N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
CID 86801011

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide (CID 43654348) is 3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide is O=S(=O)(CCCCl)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide?
The InChIKey is JPUYKHOPSORPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c15-9-6-12-20(18,19)16-13-7-2-3-8-14(13)17-10-4-1-5-11-17/h2-3,7-8,16H,1,4-6,9-12H2.
What are the key properties of 3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide?
3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide has a molecular weight of 316.85 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 43654348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).