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

C13H22N4O2S — CID 83025486

IUPACN,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide
SMILESCN1CCN(Nc2ccccc2S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H22N4O2S/c1-15(2)20(18,19)13-7-5-4-6-12(13)14-17-10-8-16(3)9-11-17/h4-7,14H,8-11H2,1-3H3
InChIKeyNAIYFSZUDIYTGA-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.51
Rot. Bonds4

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

N,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide (PubChem CID 83025486) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide
PubChem CID83025486
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide
SMILESCN1CCN(Nc2ccccc2S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H22N4O2S/c1-15(2)20(18,19)13-7-5-4-6-12(13)14-17-10-8-16(3)9-11-17/h4-7,14H,8-11H2,1-3H3
InChIKeyNAIYFSZUDIYTGA-UHFFFAOYSA-N
XLogP0.51
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide (CID 83025486) is N,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide is CN1CCN(Nc2ccccc2S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide?
The InChIKey is NAIYFSZUDIYTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-15(2)20(18,19)13-7-5-4-6-12(13)14-17-10-8-16(3)9-11-17/h4-7,14H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide?
N,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide is sourced from PubChem (CID 83025486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).