2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide

C13H19N5O2S — CID 79529330

IUPAC2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCc1cnn(C)c1N
InChIInChI=1S/C13H19N5O2S/c1-17(2)21(19,20)12-7-5-4-6-11(12)15-8-10-9-16-18(3)13(10)14/h4-7,9,15H,8,14H2,1-3H3
InChIKeyQHZQCNPLNMXBJQ-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.86
Rot. Bonds5

About 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide

2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 79529330) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID79529330
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCc1cnn(C)c1N
InChIInChI=1S/C13H19N5O2S/c1-17(2)21(19,20)12-7-5-4-6-11(12)15-8-10-9-16-18(3)13(10)14/h4-7,9,15H,8,14H2,1-3H3
InChIKeyQHZQCNPLNMXBJQ-UHFFFAOYSA-N
XLogP0.86
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 79529330) is 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NCc1cnn(C)c1N.
What is the InChIKey of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is QHZQCNPLNMXBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-17(2)21(19,20)12-7-5-4-6-11(12)15-8-10-9-16-18(3)13(10)14/h4-7,9,15H,8,14H2,1-3H3.
What are the key properties of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 79529330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).