3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C10H11FN4O2S — CID 55259444

IUPAC3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(N)cc(F)c2)n[nH]1
InChIInChI=1S/C10H11FN4O2S/c1-6-2-10(14-13-6)15-18(16,17)9-4-7(11)3-8(12)5-9/h2-5H,12H2,1H3,(H2,13,14,15)
InChIKeyLVMJWGMCYPDDLA-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 55259444) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID55259444
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(N)cc(F)c2)n[nH]1
InChIInChI=1S/C10H11FN4O2S/c1-6-2-10(14-13-6)15-18(16,17)9-4-7(11)3-8(12)5-9/h2-5H,12H2,1H3,(H2,13,14,15)
InChIKeyLVMJWGMCYPDDLA-UHFFFAOYSA-N
XLogP1.24
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.24
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

3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55259826
2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823168
2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 63820783
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
CID 63822247
3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667962
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 63822968
6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337130
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluorobenzenesulfonamide
CID 63322042
1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea
CID 116646026
3-amino-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 63321951
4-bromo-2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 116527795

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 55259444) is 3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(N)cc(F)c2)n[nH]1.
What is the InChIKey of 3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is LVMJWGMCYPDDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-6-2-10(14-13-6)15-18(16,17)9-4-7(11)3-8(12)5-9/h2-5H,12H2,1H3,(H2,13,14,15).
What are the key properties of 3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 270.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 55259444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).