N-(2,4-dimethylphenyl)piperazine-1-sulfonamide

C12H19N3O2S — CID 28775571

IUPACN-(2,4-dimethylphenyl)piperazine-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCNCC2)c(C)c1
InChIInChI=1S/C12H19N3O2S/c1-10-3-4-12(11(2)9-10)14-18(16,17)15-7-5-13-6-8-15/h3-4,9,13-14H,5-8H2,1-2H3
InChIKeyYKHKHAIZJDWLOE-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.87
Rot. Bonds3

About N-(2,4-dimethylphenyl)piperazine-1-sulfonamide

N-(2,4-dimethylphenyl)piperazine-1-sulfonamide (PubChem CID 28775571) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)piperazine-1-sulfonamide
PubChem CID28775571
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(2,4-dimethylphenyl)piperazine-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCNCC2)c(C)c1
InChIInChI=1S/C12H19N3O2S/c1-10-3-4-12(11(2)9-10)14-18(16,17)15-7-5-13-6-8-15/h3-4,9,13-14H,5-8H2,1-2H3
InChIKeyYKHKHAIZJDWLOE-UHFFFAOYSA-N
XLogP0.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(piperazin-1-ylsulfonylamino)benzoic acid
CID 61254687
N-(4-methyl-3-pyridinyl)piperazine-1-sulfonamide
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N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 61251789
N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide
CID 28775732
N-(3-fluoro-5-methylphenyl)piperazine-1-sulfonamide
CID 79049509
1-(2,5-dimethylphenyl)sulfonyl-1,4,7-triazonane
CID 175127443
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
CID 119961871
N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide
CID 54936857
N-[4-bromo-2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 60790640
N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507375
N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
CID 43436716
N-(4-chloro-2-methylphenyl)morpholine-4-sulfonamide
CID 110706024

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)piperazine-1-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)piperazine-1-sulfonamide (CID 28775571) is N-(2,4-dimethylphenyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)piperazine-1-sulfonamide is Cc1ccc(NS(=O)(=O)N2CCNCC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)piperazine-1-sulfonamide?
The InChIKey is YKHKHAIZJDWLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-3-4-12(11(2)9-10)14-18(16,17)15-7-5-13-6-8-15/h3-4,9,13-14H,5-8H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)piperazine-1-sulfonamide?
N-(2,4-dimethylphenyl)piperazine-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)piperazine-1-sulfonamide is sourced from PubChem (CID 28775571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).