N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide

C12H19N3O2S — CID 155205327

IUPACN-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C12H19N3O2S/c1-11-3-5-12(6-4-11)14-7-9-15(10-8-14)18(16,17)13-2/h3-6,13H,7-10H2,1-2H3
InChIKeyRCFSUVUEGVSVMZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.58
Rot. Bonds3

About N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide

N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide (PubChem CID 155205327) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide
PubChem CID155205327
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C12H19N3O2S/c1-11-3-5-12(6-4-11)14-7-9-15(10-8-14)18(16,17)13-2/h3-6,13H,7-10H2,1-2H3
InChIKeyRCFSUVUEGVSVMZ-UHFFFAOYSA-N
XLogP0.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-methylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 154576516
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364
N-[[3-[4-[4-(methylsulfamoyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide
CID 22140990
2-methyl-N-[[3-[4-[4-(methylsulfamoyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide
CID 22141036
N-[[3-[4-[4-(methylsulfamoyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarbothioamide
CID 22140955
1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113081406
N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 59145502
4-(4-ethynylphenyl)-N-[(2R)-1-oxopropan-2-yl]piperazine-1-sulfonamide
CID 89080256
sodium 2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoacetate
CID 23669413
ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 177161968

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide?
The IUPAC name of N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide (CID 155205327) is N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide?
The canonical SMILES for N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide is CNS(=O)(=O)N1CCN(c2ccc(C)cc2)CC1.
What is the InChIKey of N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide?
The InChIKey is RCFSUVUEGVSVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-11-3-5-12(6-4-11)14-7-9-15(10-8-14)18(16,17)13-2/h3-6,13H,7-10H2,1-2H3.
What are the key properties of N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide?
N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylphenyl)piperazine-1-sulfonamide is sourced from PubChem (CID 155205327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).