2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide

C19H21ClN2O3S — CID 42065079

IUPAC2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
SMILESO=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3S/c20-15-7-6-8-16(13-15)21-19(23)14-17-9-4-5-12-22(17)26(24,25)18-10-2-1-3-11-18/h1-3,6-8,10-11,13,17H,4-5,9,12,14H2,(H,21,23)/t17-/m1/s1
InChIKeyWCMRVBOXKAHNPI-QGZVFWFLSA-N
MW392.91 g/mol
LogP3.91
Rot. Bonds5

About 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide

2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 42065079) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
PubChem CID42065079
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
SMILESO=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3S/c20-15-7-6-8-16(13-15)21-19(23)14-17-9-4-5-12-22(17)26(24,25)18-10-2-1-3-11-18/h1-3,6-8,10-11,13,17H,4-5,9,12,14H2,(H,21,23)/t17-/m1/s1
InChIKeyWCMRVBOXKAHNPI-QGZVFWFLSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-phenylacetamide
CID 26562308
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 42065132
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 42065157
2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 70264662
N-(3-chloro-4-methylphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562219
2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26562263
2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 42065287
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42655918
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide
CID 42065160
1-(3-chlorophenyl)-3-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41194481
N-(4-fluorophenyl)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065315
1-(3-chlorophenyl)-3-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]urea
CID 7286181

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide (CID 42065079) is 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide is O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is WCMRVBOXKAHNPI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-15-7-6-8-16(13-15)21-19(23)14-17-9-4-5-12-22(17)26(24,25)18-10-2-1-3-11-18/h1-3,6-8,10-11,13,17H,4-5,9,12,14H2,(H,21,23)/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide?
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 392.91 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 42065079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).