N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C12H16N4O2S — CID 54929809

IUPACN-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(N)c(NS(=O)(=O)c2cn[nH]c2C)c1C
InChIInChI=1S/C12H16N4O2S/c1-7-4-5-10(13)12(8(7)2)16-19(17,18)11-6-14-15-9(11)3/h4-6,16H,13H2,1-3H3,(H,14,15)
InChIKeyUHYYGKSNMYRKJT-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.72
Rot. Bonds3

About N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54929809) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54929809
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(N)c(NS(=O)(=O)c2cn[nH]c2C)c1C
InChIInChI=1S/C12H16N4O2S/c1-7-4-5-10(13)12(8(7)2)16-19(17,18)11-6-14-15-9(11)3/h4-6,16H,13H2,1-3H3,(H,14,15)
InChIKeyUHYYGKSNMYRKJT-UHFFFAOYSA-N
XLogP1.72
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 62086051
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 66257339
1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene
CID 114958678
N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81314435
N-(6-amino-2,3-dimethylphenyl)-2-methylpropane-2-sulfonamide
CID 55233609
N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide
CID 43550595
5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 54930114
N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide
CID 43550582
6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide
CID 104617205

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54929809) is N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1ccc(N)c(NS(=O)(=O)c2cn[nH]c2C)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is UHYYGKSNMYRKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7-4-5-10(13)12(8(7)2)16-19(17,18)11-6-14-15-9(11)3/h4-6,16H,13H2,1-3H3,(H,14,15).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54929809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).