4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide

C19H21N3O5S — CID 7931291

IUPAC4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O5S/c20-19(24)15-6-8-16(9-7-15)27-14-18(23)21-10-12-22(13-11-21)28(25,26)17-4-2-1-3-5-17/h1-9H,10-14H2,(H2,20,24)
InChIKeyTXIXSBRHJPHSRN-UHFFFAOYSA-N
MW403.46 g/mol
LogP0.70
Rot. Bonds6

About 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide

4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide (PubChem CID 7931291) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide
PubChem CID7931291
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O5S/c20-19(24)15-6-8-16(9-7-15)27-14-18(23)21-10-12-22(13-11-21)28(25,26)17-4-2-1-3-5-17/h1-9H,10-14H2,(H2,20,24)
InChIKeyTXIXSBRHJPHSRN-UHFFFAOYSA-N
XLogP0.70
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzamide
CID 55403081
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone
CID 2634555
4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 45417208
4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide
CID 55403236
2-(4-chlorophenoxy)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 1074719
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 71904291
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-chloro-3-ethylphenoxy)ethanone
CID 7642694
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-phenylbenzoate
CID 2520536
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[3,5-bis(trifluoromethyl)phenoxy]ethanone
CID 2544511
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 18287130
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-sulfamoylbenzoate
CID 55312799

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide (CID 7931291) is 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide is NC(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
The InChIKey is TXIXSBRHJPHSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c20-19(24)15-6-8-16(9-7-15)27-14-18(23)21-10-12-22(13-11-21)28(25,26)17-4-2-1-3-5-17/h1-9H,10-14H2,(H2,20,24).
What are the key properties of 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide?
4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide has a molecular weight of 403.46 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 7931291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).