5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide

C13H18N4O2S — CID 61113670

IUPAC5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2cn[nH]c2N)c(C)c1
InChIInChI=1S/C13H18N4O2S/c1-9-4-5-11(10(2)6-9)8-17(3)20(18,19)12-7-15-16-13(12)14/h4-7H,8H2,1-3H3,(H3,14,15,16)
InChIKeyXYSMLVQQGAIJSC-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.43
Rot. Bonds4

About 5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide

5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61113670) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61113670
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2cn[nH]c2N)c(C)c1
InChIInChI=1S/C13H18N4O2S/c1-9-4-5-11(10(2)6-9)8-17(3)20(18,19)12-7-15-16-13(12)14/h4-7H,8H2,1-3H3,(H3,14,15,16)
InChIKeyXYSMLVQQGAIJSC-UHFFFAOYSA-N
XLogP1.43
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61113484
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide
CID 61040966
N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 46458732
4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55161300
5-amino-N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61111809
5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 63693578
5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 112656604
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2,4-trimethylbenzenesulfonamide
CID 8778152
5-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61127334
5-amino-N-ethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 61076203
5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60808130
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929716

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide (CID 61113670) is 5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2cn[nH]c2N)c(C)c1.
What is the InChIKey of 5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is XYSMLVQQGAIJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9-4-5-11(10(2)6-9)8-17(3)20(18,19)12-7-15-16-13(12)14/h4-7H,8H2,1-3H3,(H3,14,15,16).
What are the key properties of 5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61113670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).