5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide

C18H24N4O2S — CID 121356164

IUPAC5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide
SMILESCN1CCN(c2ccc(N)cc2S(=O)(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2S/c1-20-10-12-22(13-11-20)17-9-8-15(19)14-18(17)25(23,24)21(2)16-6-4-3-5-7-16/h3-9,14H,10-13,19H2,1-2H3
InChIKeyUTCUXNPJMPCHHN-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.85
Rot. Bonds4

About 5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide

5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide (PubChem CID 121356164) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide
PubChem CID121356164
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide
SMILESCN1CCN(c2ccc(N)cc2S(=O)(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2S/c1-20-10-12-22(13-11-20)17-9-8-15(19)14-18(17)25(23,24)21(2)16-6-4-3-5-7-16/h3-9,14H,10-13,19H2,1-2H3
InChIKeyUTCUXNPJMPCHHN-UHFFFAOYSA-N
XLogP1.85
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide
CID 28795698
5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide
CID 28795814
5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 28795713
1-N,1-N-dimethyl-2-(4-methylpiperazin-1-yl)sulfonylbenzene-1,4-diamine
CID 28796172
ethane;3-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 170593153
3-amino-4-(1,4-diazepan-1-yl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 10157618
5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 79896990
N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 2473147
5-amino-N-methyl-2-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
CID 103287123
2-(4-methylpiperazin-1-yl)-5-phenylaniline
CID 175786504
5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 65206643
butyl 3-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoate
CID 21430459

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide (CID 121356164) is 5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide is CN1CCN(c2ccc(N)cc2S(=O)(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of 5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide?
The InChIKey is UTCUXNPJMPCHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-20-10-12-22(13-11-20)17-9-8-15(19)14-18(17)25(23,24)21(2)16-6-4-3-5-7-16/h3-9,14H,10-13,19H2,1-2H3.
What are the key properties of 5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide?
5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 121356164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).