5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide

C14H19N3O4S — CID 46406583

IUPAC5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1
InChIInChI=1S/C14H19N3O4S/c1-10-3-4-12(9-13(10)14(15)19)22(20,21)17-7-5-16(6-8-17)11(2)18/h3-4,9H,5-8H2,1-2H3,(H2,15,19)
InChIKeyUUHVDIJDHINEFS-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.05
Rot. Bonds3

About 5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide

5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide (PubChem CID 46406583) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
PubChem CID46406583
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1
InChIInChI=1S/C14H19N3O4S/c1-10-3-4-12(9-13(10)14(15)19)22(20,21)17-7-5-16(6-8-17)11(2)18/h3-4,9H,5-8H2,1-2H3,(H2,15,19)
InChIKeyUUHVDIJDHINEFS-UHFFFAOYSA-N
XLogP-0.05
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 1216990
1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 131963351
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
CID 46406612
2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119980179
1-[4-(3-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3831126
2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120714185
5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 119987776
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzamide
CID 120777392
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 34100373
2-methyl-5-thiomorpholin-4-ylsulfonylbenzoic acid
CID 29266576

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide (CID 46406583) is 5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide is CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide?
The InChIKey is UUHVDIJDHINEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-10-3-4-12(9-13(10)14(15)19)22(20,21)17-7-5-16(6-8-17)11(2)18/h3-4,9H,5-8H2,1-2H3,(H2,15,19).
What are the key properties of 5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide?
5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide has a molecular weight of 325.39 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide is sourced from PubChem (CID 46406583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).