2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide

C12H20N4O2S — CID 107116226

IUPAC2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(N2CCNCC2)c1N
InChIInChI=1S/C12H20N4O2S/c1-15(2)19(17,18)11-5-3-4-10(12(11)13)16-8-6-14-7-9-16/h3-5,14H,6-9,13H2,1-2H3
InChIKeyVGGSOGSLQWXLNT-UHFFFAOYSA-N
MW284.38 g/mol
LogP-0.07
Rot. Bonds3

About 2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide

2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide (PubChem CID 107116226) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide
PubChem CID107116226
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(N2CCNCC2)c1N
InChIInChI=1S/C12H20N4O2S/c1-15(2)19(17,18)11-5-3-4-10(12(11)13)16-8-6-14-7-9-16/h3-5,14H,6-9,13H2,1-2H3
InChIKeyVGGSOGSLQWXLNT-UHFFFAOYSA-N
XLogP-0.07
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(azepan-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107115405
2-methylsulfonyl-6-piperazin-1-ylaniline
CID 82002872
2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107116779
2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide
CID 107116642
2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide
CID 115992384
2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 107116898
2-amino-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107116905
methyl 2-amino-3-piperazin-1-ylbenzoate
CID 176889700
2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107116911
1-[2-(benzenesulfonyl)phenyl]piperazine
CID 11849201
1-[3-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]piperazine
CID 150306260
1-[2-(difluoromethylsulfonyl)phenyl]-1,4-diazepane
CID 43455340

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide (CID 107116226) is 2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(N2CCNCC2)c1N.
What is the InChIKey of 2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide?
The InChIKey is VGGSOGSLQWXLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-15(2)19(17,18)11-5-3-4-10(12(11)13)16-8-6-14-7-9-16/h3-5,14H,6-9,13H2,1-2H3.
What are the key properties of 2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide?
2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 107116226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).