N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide

C11H14N4O2S — CID 43605199

IUPACN-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H14N4O2S/c1-8-3-4-9(12)5-11(8)14-18(16,17)10-6-13-15(2)7-10/h3-7,14H,12H2,1-2H3
InChIKeyGHEYXXVSABAVCG-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.11
Rot. Bonds3

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

N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 43605199) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID43605199
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H14N4O2S/c1-8-3-4-9(12)5-11(8)14-18(16,17)10-6-13-15(2)7-10/h3-7,14H,12H2,1-2H3
InChIKeyGHEYXXVSABAVCG-UHFFFAOYSA-N
XLogP1.11
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 62062956
N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 62061544
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide
CID 71860519
N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54937299
N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 62063840
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 84595481
N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide
CID 81421576
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 113285935
N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62062082
N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 114051204
N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide
CID 62061919

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide (CID 43605199) is N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide is Cc1ccc(N)cc1NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is GHEYXXVSABAVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-8-3-4-9(12)5-11(8)14-18(16,17)10-6-13-15(2)7-10/h3-7,14H,12H2,1-2H3.
What are the key properties of N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide?
N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 43605199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).