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

C12H17N5O2S — CID 79530172

IUPAC2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCc1cn[nH]c1N
InChIInChI=1S/C12H17N5O2S/c1-17(2)20(18,19)11-6-4-3-5-10(11)14-7-9-8-15-16-12(9)13/h3-6,8,14H,7H2,1-2H3,(H3,13,15,16)
InChIKeyGDTOOARUDNAKTE-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.85
Rot. Bonds5

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

2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 79530172) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID79530172
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NCc1cn[nH]c1N
InChIInChI=1S/C12H17N5O2S/c1-17(2)20(18,19)11-6-4-3-5-10(11)14-7-9-8-15-16-12(9)13/h3-6,8,14H,7H2,1-2H3,(H3,13,15,16)
InChIKeyGDTOOARUDNAKTE-UHFFFAOYSA-N
XLogP0.85
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79529330
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106048174
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide
CID 79531198
2-amino-N,N-dimethyl-3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 107115947
N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
CID 106896524
N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 79530915
N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide
CID 79530165
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 79531474
2-[2-(aminomethyl)anilino]-N,N-dimethylbenzenesulfonamide
CID 63759564
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
CID 63251442
5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922893
N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 62056766

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 79530172) is 2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NCc1cn[nH]c1N.
What is the InChIKey of 2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is GDTOOARUDNAKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-17(2)20(18,19)11-6-4-3-5-10(11)14-7-9-8-15-16-12(9)13/h3-6,8,14H,7H2,1-2H3,(H3,13,15,16).
What are the key properties of 2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 79530172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).