3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide

C19H20ClN3O4S — CID 19257247

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C19H20ClN3O4S/c1-14(24)22-8-10-23(11-9-22)28(26,27)18-7-2-4-15(12-18)19(25)21-17-6-3-5-16(20)13-17/h2-7,12-13H,8-11H2,1H3,(H,21,25)
InChIKeyZXFSSYPZVDJGBF-UHFFFAOYSA-N
MW421.91 g/mol
LogP2.45
Rot. Bonds4

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide (PubChem CID 19257247) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide
PubChem CID19257247
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C19H20ClN3O4S/c1-14(24)22-8-10-23(11-9-22)28(26,27)18-7-2-4-15(12-18)19(25)21-17-6-3-5-16(20)13-17/h2-7,12-13H,8-11H2,1H3,(H,21,25)
InChIKeyZXFSSYPZVDJGBF-UHFFFAOYSA-N
XLogP2.45
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methoxyphenyl)benzamide
CID 19257253
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 19257226
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-ethynylphenyl)benzamide
CID 18229319
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26687870
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 19257272
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343662
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4844842
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26499246

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide (CID 19257247) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide?
The InChIKey is ZXFSSYPZVDJGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-14(24)22-8-10-23(11-9-22)28(26,27)18-7-2-4-15(12-18)19(25)21-17-6-3-5-16(20)13-17/h2-7,12-13H,8-11H2,1H3,(H,21,25).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide has a molecular weight of 421.91 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide is sourced from PubChem (CID 19257247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).