4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide

C13H17FN4O2S — CID 104616977

IUPAC4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccc(N)cc2F)n[nH]1
InChIInChI=1S/C13H17FN4O2S/c1-13(2,3)11-7-12(17-16-11)18-21(19,20)10-5-4-8(15)6-9(10)14/h4-7H,15H2,1-3H3,(H2,16,17,18)
InChIKeyJIFIWQNFPOMMAC-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.23
Rot. Bonds3

About 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide

4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide (PubChem CID 104616977) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
PubChem CID104616977
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC Name4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccc(N)cc2F)n[nH]1
InChIInChI=1S/C13H17FN4O2S/c1-13(2,3)11-7-12(17-16-11)18-21(19,20)10-5-4-8(15)6-9(10)14/h4-7H,15H2,1-3H3,(H2,16,17,18)
InChIKeyJIFIWQNFPOMMAC-UHFFFAOYSA-N
XLogP2.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616990
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 104617001
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786251
4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812616
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide
CID 116794707
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 22411411
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 104616984
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
4-bromo-2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 116527795

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide (CID 104616977) is 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide is CC(C)(C)c1cc(NS(=O)(=O)c2ccc(N)cc2F)n[nH]1.
What is the InChIKey of 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide?
The InChIKey is JIFIWQNFPOMMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-13(2,3)11-7-12(17-16-11)18-21(19,20)10-5-4-8(15)6-9(10)14/h4-7H,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide?
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 104616977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).