3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide

C16H23ClN2O3S — CID 17147787

IUPAC3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCCl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-2-14-5-3-4-12-19(14)23(21,22)15-8-6-13(7-9-15)18-16(20)10-11-17/h6-9,14H,2-5,10-12H2,1H3,(H,18,20)
InChIKeyGOBFGLBRCLJSNU-UHFFFAOYSA-N
MW358.89 g/mol
LogP3.21
Rot. Bonds6

About 3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide

3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide (PubChem CID 17147787) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
PubChem CID17147787
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCCl)cc1
InChIInChI=1S/C16H23ClN2O3S/c1-2-14-5-3-4-12-19(14)23(21,22)15-8-6-13(7-9-15)18-16(20)10-11-17/h6-9,14H,2-5,10-12H2,1H3,(H,18,20)
InChIKeyGOBFGLBRCLJSNU-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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

2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154220
2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066658
3-(butanoylamino)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4664347
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 4090474
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5169215
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-phenylbutanamide
CID 17256826

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide (CID 17147787) is 3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide is CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCCl)cc1.
What is the InChIKey of 3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is GOBFGLBRCLJSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-2-14-5-3-4-12-19(14)23(21,22)15-8-6-13(7-9-15)18-16(20)10-11-17/h6-9,14H,2-5,10-12H2,1H3,(H,18,20).
What are the key properties of 3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide?
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 358.89 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 17147787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).