N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide

C12H16N4O4S — CID 62063840

IUPACN-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCOc1cc(N)c(NS(=O)(=O)c2cnn(C)c2)cc1OC
InChIInChI=1S/C12H16N4O4S/c1-16-7-8(6-14-16)21(17,18)15-10-5-12(20-3)11(19-2)4-9(10)13/h4-7,15H,13H2,1-3H3
InChIKeyWKQZWROUAJHLBK-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.82
Rot. Bonds5

About N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide

N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 62063840) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID62063840
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCOc1cc(N)c(NS(=O)(=O)c2cnn(C)c2)cc1OC
InChIInChI=1S/C12H16N4O4S/c1-16-7-8(6-14-16)21(17,18)15-10-5-12(20-3)11(19-2)4-9(10)13/h4-7,15H,13H2,1-3H3
InChIKeyWKQZWROUAJHLBK-UHFFFAOYSA-N
XLogP0.82
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 47177541
N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 62061544
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 43605199
N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62062082
N-(5-amino-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 62062956
4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 83007960
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372
N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide
CID 81421576
1-(2-aminoethyl)-N-(5-chloro-2-methoxyphenyl)pyrazole-4-sulfonamide
CID 106059592
N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide
CID 60859772

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide (CID 62063840) is N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide is COc1cc(N)c(NS(=O)(=O)c2cnn(C)c2)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is WKQZWROUAJHLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-16-7-8(6-14-16)21(17,18)15-10-5-12(20-3)11(19-2)4-9(10)13/h4-7,15H,13H2,1-3H3.
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide?
N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 312.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62063840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).