N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide

C13H19N3O3S — CID 59145502

IUPACN-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide
SMILESCNC(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C13H19N3O3S/c1-14-13(17)11-3-5-12(6-4-11)15-7-9-16(10-8-15)20(2,18)19/h3-6H,7-10H2,1-2H3,(H,14,17)
InChIKeyYGRBDJKTBGFWPK-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.13
Rot. Bonds3

About N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide

N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide (PubChem CID 59145502) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide
PubChem CID59145502
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide
SMILESCNC(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C13H19N3O3S/c1-14-13(17)11-3-5-12(6-4-11)15-7-9-16(10-8-15)20(2,18)19/h3-6H,7-10H2,1-2H3,(H,14,17)
InChIKeyYGRBDJKTBGFWPK-UHFFFAOYSA-N
XLogP0.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide 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-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 11231850
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide
CID 1087164
ethyl 4-(4-methylsulfonylpiperazin-1-yl)benzoate
CID 110672935
3,4-dimethoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 2238784
N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62994333
3-bromo-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1421697
4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-methylbenzamide
CID 177042401
N-hydroxy-4-[4-(2-methylsulfonylphenyl)sulfonylpiperazin-1-yl]benzamide
CID 58845142
2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1087170
6-(4-methylsulfonylpiperazin-1-yl)naphthalen-2-ol
CID 67206897
potassium;hydride;(E)-3-[4-[(E)-3-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid
CID 173041796
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide?
The IUPAC name of N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide (CID 59145502) is N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide?
The canonical SMILES for N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide is CNC(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide?
The InChIKey is YGRBDJKTBGFWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-14-13(17)11-3-5-12(6-4-11)15-7-9-16(10-8-15)20(2,18)19/h3-6H,7-10H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide?
N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide has a molecular weight of 297.38 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 N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide is sourced from PubChem (CID 59145502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).