N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide

C16H23ClN2O3S — CID 38822160

IUPACN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-2-11-23(21,22)18-14-7-9-19(10-8-14)16(20)12-13-5-3-4-6-15(13)17/h3-6,14,18H,2,7-12H2,1H3
InChIKeyOLWNYWXZQZNUAS-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.20
Rot. Bonds6

About N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 38822160) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID38822160
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-2-11-23(21,22)18-14-7-9-19(10-8-14)16(20)12-13-5-3-4-6-15(13)17/h3-6,14,18H,2,7-12H2,1H3
InChIKeyOLWNYWXZQZNUAS-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34355028
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108932983
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 50823468
N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34349122
N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34349914
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide
CID 108922333
1-[2-(2-chlorophenyl)acetyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 126767287

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide (CID 38822160) is N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is OLWNYWXZQZNUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-2-11-23(21,22)18-14-7-9-19(10-8-14)16(20)12-13-5-3-4-6-15(13)17/h3-6,14,18H,2,7-12H2,1H3.
What are the key properties of N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 358.89 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 38822160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).