6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide

C13H22N4O2S — CID 83012285

IUPAC6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NN2CCN(C)CC2)c1C
InChIInChI=1S/C13H22N4O2S/c1-10-4-5-12(14)13(11(10)2)20(18,19)15-17-8-6-16(3)7-9-17/h4-5,15H,6-9,14H2,1-3H3
InChIKeyHJCSCEHRPROLCR-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.33
Rot. Bonds3

About 6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide

6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 83012285) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID83012285
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NN2CCN(C)CC2)c1C
InChIInChI=1S/C13H22N4O2S/c1-10-4-5-12(14)13(11(10)2)20(18,19)15-17-8-6-16(3)7-9-17/h4-5,15H,6-9,14H2,1-3H3
InChIKeyHJCSCEHRPROLCR-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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Related Compounds

2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83012362
4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83012679
6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43258845
6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-dimethylbenzenesulfonamide
CID 105413590
4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114958433
4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83013225
6-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 65309956
6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
CID 43257564
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide
CID 107213458
4-amino-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
CID 83013468
6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
CID 93081246
6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 106033795

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 83012285) is 6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)NN2CCN(C)CC2)c1C.
What is the InChIKey of 6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is HJCSCEHRPROLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-10-4-5-12(14)13(11(10)2)20(18,19)15-17-8-6-16(3)7-9-17/h4-5,15H,6-9,14H2,1-3H3.
What are the key properties of 6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
6-amino-2,3-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 6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 83012285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).