3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide

C20H23N3O4S — CID 2382010

IUPAC3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1
InChIInChI=1S/C20H23N3O4S/c1-15-6-8-18(9-7-15)21-28(26,27)19-5-3-4-17(14-19)20(25)23-12-10-22(11-13-23)16(2)24/h3-9,14,21H,10-13H2,1-2H3
InChIKeyAIKZUARAVXUBKF-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.10
Rot. Bonds4

About 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide

3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 2382010) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
PubChem CID2382010
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1
InChIInChI=1S/C20H23N3O4S/c1-15-6-8-18(9-7-15)21-28(26,27)19-5-3-4-17(14-19)20(25)23-12-10-22(11-13-23)16(2)24/h3-9,14,21H,10-13H2,1-2H3
InChIKeyAIKZUARAVXUBKF-UHFFFAOYSA-N
XLogP2.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
5-[[4-(4-Acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
CID 20969430
L-750034
CID 11743533
N-(4-methylcyclohexyl)-3-(4-methylpiperazino)sulfonyl-benzamide
CID 24983123
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}benzamide
CID 2810635
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
1-(4-Methylbenzoyl)-4-(phenylsulfonyl)piperazine
CID 707395
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide
CID 3241048

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide (CID 2382010) is 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide is CC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is AIKZUARAVXUBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-15-6-8-18(9-7-15)21-28(26,27)19-5-3-4-17(14-19)20(25)23-12-10-22(11-13-23)16(2)24/h3-9,14,21H,10-13H2,1-2H3.
What are the key properties of 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide?
3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2382010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).