2-(4-methylsulfonylpiperazin-1-yl)benzamide

C12H17N3O3S — CID 153409878

IUPAC2-(4-methylsulfonylpiperazin-1-yl)benzamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2C(N)=O)CC1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)15-8-6-14(7-9-15)11-5-3-2-4-10(11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)
InChIKeyTYHZWFBAKSVADT-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.13
Rot. Bonds3

About 2-(4-methylsulfonylpiperazin-1-yl)benzamide

2-(4-methylsulfonylpiperazin-1-yl)benzamide (PubChem CID 153409878) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)benzamide
PubChem CID153409878
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)benzamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2C(N)=O)CC1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)15-8-6-14(7-9-15)11-5-3-2-4-10(11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)
InChIKeyTYHZWFBAKSVADT-UHFFFAOYSA-N
XLogP-0.13
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)benzamide?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)benzamide (CID 153409878) is 2-(4-methylsulfonylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)benzamide?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)benzamide is CS(=O)(=O)N1CCN(c2ccccc2C(N)=O)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)benzamide?
The InChIKey is TYHZWFBAKSVADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-19(17,18)15-8-6-14(7-9-15)11-5-3-2-4-10(11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16).
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)benzamide?
2-(4-methylsulfonylpiperazin-1-yl)benzamide has a molecular weight of 283.35 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)benzamide is sourced from PubChem (CID 153409878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).