5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide

C11H18N4O2S — CID 103286986

IUPAC5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N1CCNCC1
InChIInChI=1S/C11H18N4O2S/c1-13-18(16,17)11-8-9(12)2-3-10(11)15-6-4-14-5-7-15/h2-3,8,13-14H,4-7,12H2,1H3
InChIKeyZAAFABVQNWHFLF-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.41
Rot. Bonds3

About 5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide

5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide (PubChem CID 103286986) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide
PubChem CID103286986
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N1CCNCC1
InChIInChI=1S/C11H18N4O2S/c1-13-18(16,17)11-8-9(12)2-3-10(11)15-6-4-14-5-7-15/h2-3,8,13-14H,4-7,12H2,1H3
InChIKeyZAAFABVQNWHFLF-UHFFFAOYSA-N
XLogP-0.41
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103287216
5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505188
5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103286576
5-amino-N-methyl-2-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
CID 103287123
5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 103287518
5-amino-2-(2,2-dimethylmorpholin-4-yl)-N-methylbenzenesulfonamide
CID 103286780
1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103286895
4-piperazin-1-yl-3-(trifluoromethyl)aniline;hydrochloride
CID 71539599
N-cyclopentyl-5-methyl-2-piperazin-1-ylbenzenesulfonamide
CID 155201518
5-amino-2-(4,5-dimethylimidazol-1-yl)-N-methylbenzenesulfonamide
CID 103287604
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide (CID 103286986) is 5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1N1CCNCC1.
What is the InChIKey of 5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide?
The InChIKey is ZAAFABVQNWHFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-13-18(16,17)11-8-9(12)2-3-10(11)15-6-4-14-5-7-15/h2-3,8,13-14H,4-7,12H2,1H3.
What are the key properties of 5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide?
5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide has a molecular weight of 270.36 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 103286986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).