N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide

C20H22ClN3O4S — CID 2583012

IUPACN-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C20H22ClN3O4S/c1-14(25)22-16-6-8-17(9-7-16)23-20(26)15-5-10-18(21)19(13-15)29(27,28)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyYBKJENJHMFSCDV-UHFFFAOYSA-N
MW435.93 g/mol
LogP3.73
Rot. Bonds5

About N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide

N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2583012) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2583012
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC NameN-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C20H22ClN3O4S/c1-14(25)22-16-6-8-17(9-7-16)23-20(26)15-5-10-18(21)19(13-15)29(27,28)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyYBKJENJHMFSCDV-UHFFFAOYSA-N
XLogP3.73
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679596
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2683305
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55339394
4-chloro-N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2710139
4-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 30857697
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 26375346
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide (CID 2583012) is N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is YBKJENJHMFSCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-14(25)22-16-6-8-17(9-7-16)23-20(26)15-5-10-18(21)19(13-15)29(27,28)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide?
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 435.93 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2583012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).