N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide

C10H11FN4O2S — CID 62061544

IUPACN-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(F)cc2N)cn1
InChIInChI=1S/C10H11FN4O2S/c1-15-6-8(5-13-15)18(16,17)14-10-3-2-7(11)4-9(10)12/h2-6,14H,12H2,1H3
InChIKeyGKAIPTLPLTWIIG-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.94
Rot. Bonds3

About N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide

N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 62061544) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID62061544
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC NameN-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(F)cc2N)cn1
InChIInChI=1S/C10H11FN4O2S/c1-15-6-8(5-13-15)18(16,17)14-10-3-2-7(11)4-9(10)12/h2-6,14H,12H2,1H3
InChIKeyGKAIPTLPLTWIIG-UHFFFAOYSA-N
XLogP0.94
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.94
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-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1-methylpyrazole-4-sulfonamide
CID 62063018
N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 62063840
N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 43605199
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 47257775
5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 61406079
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(5-amino-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 62062956
N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide
CID 81421576
4-amino-3-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 82843709
N-(4-fluoro-2-iodophenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106071507
N-(2-amino-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61384650

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide (CID 62061544) is N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(F)cc2N)cn1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is GKAIPTLPLTWIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-15-6-8(5-13-15)18(16,17)14-10-3-2-7(11)4-9(10)12/h2-6,14H,12H2,1H3.
What are the key properties of N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 270.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62061544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).