N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

C13H19N3O3S — CID 891814

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C13H19N3O3S/c1-15-7-9-16(10-8-15)13(17)11-14-20(18,19)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3
InChIKeyGLERBDIHLUPFCL-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.26
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 891814) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID891814
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C13H19N3O3S/c1-15-7-9-16(10-8-15)13(17)11-14-20(18,19)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3
InChIKeyGLERBDIHLUPFCL-UHFFFAOYSA-N
XLogP-0.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 891814) is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is GLERBDIHLUPFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-15-7-9-16(10-8-15)13(17)11-14-20(18,19)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 891814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).