2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide

C13H19N5O2S — CID 107116008

IUPAC2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCCn2cccn2)c1N
InChIInChI=1S/C13H19N5O2S/c1-17(2)21(19,20)12-6-3-5-11(13(12)14)15-8-10-18-9-4-7-16-18/h3-7,9,15H,8,10,14H2,1-2H3
InChIKeyQMTINWDJBDODSS-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.83
Rot. Bonds6

About 2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide

2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide (PubChem CID 107116008) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide
PubChem CID107116008
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCCn2cccn2)c1N
InChIInChI=1S/C13H19N5O2S/c1-17(2)21(19,20)12-6-3-5-11(13(12)14)15-8-10-18-9-4-7-16-18/h3-7,9,15H,8,10,14H2,1-2H3
InChIKeyQMTINWDJBDODSS-UHFFFAOYSA-N
XLogP0.83
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2-pyrazol-1-ylethylamino)benzonitrile
CID 113444705
2-amino-N,N-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 107116297
3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine
CID 113392574
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 107116285
2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-amino-3-[(2-ethyl-2-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116413
2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 107116608
2-amino-3-[2-(1H-imidazol-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 107116762
2-amino-N,N-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
CID 107116378
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
2-amino-N,N-dimethyl-3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 107115947
2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 107115573

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide (CID 107116008) is 2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NCCn2cccn2)c1N.
What is the InChIKey of 2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide?
The InChIKey is QMTINWDJBDODSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-17(2)21(19,20)12-6-3-5-11(13(12)14)15-8-10-18-9-4-7-16-18/h3-7,9,15H,8,10,14H2,1-2H3.
What are the key properties of 2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide?
2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide has a molecular weight of 309.40 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 107116008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).