5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide

C11H12F2N4O2S — CID 43547072

IUPAC5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C11H12F2N4O2S/c1-5-11(6(2)16-15-5)17-20(18,19)10-4-9(14)7(12)3-8(10)13/h3-4,17H,14H2,1-2H3,(H,15,16)
InChIKeyGCPUZOMNASNWIZ-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.69
Rot. Bonds3

About 5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide

5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 43547072) has the molecular formula C11H12F2N4O2S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide
PubChem CID43547072
Molecular FormulaC11H12F2N4O2S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C11H12F2N4O2S/c1-5-11(6(2)16-15-5)17-20(18,19)10-4-9(14)7(12)3-8(10)13/h3-4,17H,14H2,1-2H3,(H,15,16)
InChIKeyGCPUZOMNASNWIZ-UHFFFAOYSA-N
XLogP1.69
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide (CID 43547072) is 5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is GCPUZOMNASNWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2S/c1-5-11(6(2)16-15-5)17-20(18,19)10-4-9(14)7(12)3-8(10)13/h3-4,17H,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide?
5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 302.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 43547072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).