5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide

C12H20N4O2S — CID 79896990

IUPAC5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCc1c(N2CCN(C)CC2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C12H20N4O2S/c1-9-11(16-5-3-15(2)4-6-16)7-10(13)8-12(9)19(14,17)18/h7-8H,3-6,13H2,1-2H3,(H2,14,17,18)
InChIKeyVFFKCIDRRQOQDM-UHFFFAOYSA-N
MW284.38 g/mol
LogP-0.02
Rot. Bonds2

About 5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide

5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 79896990) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID79896990
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCc1c(N2CCN(C)CC2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C12H20N4O2S/c1-9-11(16-5-3-15(2)4-6-16)7-10(13)8-12(9)19(14,17)18/h7-8H,3-6,13H2,1-2H3,(H2,14,17,18)
InChIKeyVFFKCIDRRQOQDM-UHFFFAOYSA-N
XLogP-0.02
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 79896990) is 5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide is Cc1c(N2CCN(C)CC2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is VFFKCIDRRQOQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-11(16-5-3-15(2)4-6-16)7-10(13)8-12(9)19(14,17)18/h7-8H,3-6,13H2,1-2H3,(H2,14,17,18).
What are the key properties of 5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 79896990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).