4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide

C13H22N4O2S — CID 83012679

IUPAC4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H22N4O2S/c1-10-8-12(14)9-11(2)13(10)20(18,19)15-17-6-4-16(3)5-7-17/h8-9,15H,4-7,14H2,1-3H3
InChIKeyHWUSYBPOIQKBCP-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.33
Rot. Bonds3

About 4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide

4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 83012679) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID83012679
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C13H22N4O2S/c1-10-8-12(14)9-11(2)13(10)20(18,19)15-17-6-4-16(3)5-7-17/h8-9,15H,4-7,14H2,1-3H3
InChIKeyHWUSYBPOIQKBCP-UHFFFAOYSA-N
XLogP0.33
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.33
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 4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 83012679) is 4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NN1CCN(C)CC1.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is HWUSYBPOIQKBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-10-8-12(14)9-11(2)13(10)20(18,19)15-17-6-4-16(3)5-7-17/h8-9,15H,4-7,14H2,1-3H3.
What are the key properties of 4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 83012679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).