2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide

C15H21ClN2O3S — CID 28962638

IUPAC2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-2-13-5-3-4-10-18(13)22(20,21)14-8-6-12(7-9-14)17-15(19)11-16/h6-9,13H,2-5,10-11H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyNISPFLIZLROMEG-ZDUSSCGKSA-N
MW344.86 g/mol
LogP2.82
Rot. Bonds5

About 2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide

2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 28962638) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID28962638
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-2-13-5-3-4-10-18(13)22(20,21)14-8-6-12(7-9-14)17-15(19)11-16/h6-9,13H,2-5,10-11H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyNISPFLIZLROMEG-ZDUSSCGKSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.82
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

3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
(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
2-(4-ethylpiperazin-1-yl)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066658
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154220
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
ethyl 2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoacetate
CID 7369009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide (CID 28962638) is 2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide is CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is NISPFLIZLROMEG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-2-13-5-3-4-10-18(13)22(20,21)14-8-6-12(7-9-14)17-15(19)11-16/h6-9,13H,2-5,10-11H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide?
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 344.86 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 28962638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).