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

C12H20N4O2S — CID 83012362

IUPAC2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C12H20N4O2S/c1-10-4-3-5-11(13)12(10)19(17,18)14-16-8-6-15(2)7-9-16/h3-5,14H,6-9,13H2,1-2H3
InChIKeySDGREKOSTGNUBP-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.02
Rot. Bonds3

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

2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 83012362) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID83012362
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C12H20N4O2S/c1-10-4-3-5-11(13)12(10)19(17,18)14-16-8-6-15(2)7-9-16/h3-5,14H,6-9,13H2,1-2H3
InChIKeySDGREKOSTGNUBP-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
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

6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83012285
4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83012679
2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55097806
2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
CID 43452334
2-amino-N',N',6-trimethylbenzenesulfonohydrazide
CID 83013451
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-6-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62397102
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325
2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61125702
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78910879
4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114958433

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 83012362) is 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NN1CCN(C)CC1.
What is the InChIKey of 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is SDGREKOSTGNUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-10-4-3-5-11(13)12(10)19(17,18)14-16-8-6-15(2)7-9-16/h3-5,14H,6-9,13H2,1-2H3.
What are the key properties of 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 83012362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).