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

C10H11FN4O2S — CID 60813860

IUPAC3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccccc2F)c(N)n1
InChIInChI=1S/C10H11FN4O2S/c1-15-6-9(10(12)13-15)18(16,17)14-8-5-3-2-4-7(8)11/h2-6,14H,1H3,(H2,12,13)
InChIKeyAKNKQSIYWSVFJN-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.94
Rot. Bonds3

About 3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 60813860) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID60813860
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccccc2F)c(N)n1
InChIInChI=1S/C10H11FN4O2S/c1-15-6-9(10(12)13-15)18(16,17)14-8-5-3-2-4-7(8)11/h2-6,14H,1H3,(H2,12,13)
InChIKeyAKNKQSIYWSVFJN-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

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Related Compounds

3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60810406
2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809611
3-amino-N-(2,5-dibromophenyl)-1-methylpyrazole-4-sulfonamide
CID 61466411
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 102803480
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808628
N-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475140
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 61125168
4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809576
3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60808427
3-amino-N-(4-chloro-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 61110443

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide (CID 60813860) is 3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccccc2F)c(N)n1.
What is the InChIKey of 3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is AKNKQSIYWSVFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-15-6-9(10(12)13-15)18(16,17)14-8-5-3-2-4-7(8)11/h2-6,14H,1H3,(H2,12,13).
What are the key properties of 3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(2-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 3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 60813860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).