2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide

C20H23ClN2O3S — CID 19114634

IUPAC2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-15-4-2-3-13-23(15)27(25,26)19-11-9-18(10-12-19)22-20(24)14-16-5-7-17(21)8-6-16/h5-12,15H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyISWZXQUTKXEAHH-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.08
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide

2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 19114634) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID19114634
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-15-4-2-3-13-23(15)27(25,26)19-11-9-18(10-12-19)22-20(24)14-16-5-7-17(21)8-6-16/h5-12,15H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyISWZXQUTKXEAHH-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 27012752
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685
1-(4-ethylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27525385
5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 42279430
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 40775798
N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9096526
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-phenylacetamide
CID 26562308
N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide
CID 26819578
1-(4-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27522605
6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 164997311

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 19114634) is 2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide is CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is ISWZXQUTKXEAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-15-4-2-3-13-23(15)27(25,26)19-11-9-18(10-12-19)22-20(24)14-16-5-7-17(21)8-6-16/h5-12,15H,2-4,13-14H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 406.94 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 19114634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).