4-(4-methylpiperazin-1-yl)sulfonylbenzamide

C12H17N3O3S — CID 6462604

IUPAC4-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCN1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)
InChIKeyDGYBGNBRDCUNEP-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.28
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)sulfonylbenzamide

4-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 6462604) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID6462604
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCN1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)
InChIKeyDGYBGNBRDCUNEP-UHFFFAOYSA-N
XLogP-0.28
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 ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylpiperazin-1-yl)sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-benzyl-4-sulfamoylbenzamide
CID 4347
4-(Aminosulfonyl)benzamide
CID 80563
N-methyl-4-sulfamoylbenzamide
CID 4093508
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
n-Propyl-4-sulfamoylbenzamide
CID 226552
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627
ST009212
CID 567241
Benzamide, N-((4-methylphenyl)sulfonyl)-
CID 81439
4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
CID 135393499

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 6462604) is 4-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)sulfonylbenzamide is CN1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is DGYBGNBRDCUNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16).
What are the key properties of 4-(4-methylpiperazin-1-yl)sulfonylbenzamide?
4-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 283.35 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 6462604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).