3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide

C12H15FN4O2S — CID 105358010

IUPAC3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(N)nn(C)c2C)cc1F
InChIInChI=1S/C12H15FN4O2S/c1-7-4-5-9(6-10(7)13)16-20(18,19)11-8(2)17(3)15-12(11)14/h4-6,16H,1-3H3,(H2,14,15)
InChIKeyCSPOFTNYPKJAPL-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.56
Rot. Bonds3

About 3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358010) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358010
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC Name3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(N)nn(C)c2C)cc1F
InChIInChI=1S/C12H15FN4O2S/c1-7-4-5-9(6-10(7)13)16-20(18,19)11-8(2)17(3)15-12(11)14/h4-6,16H,1-3H3,(H2,14,15)
InChIKeyCSPOFTNYPKJAPL-UHFFFAOYSA-N
XLogP1.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1,5-dimethyl-N-(3,4,5-trifluorophenyl)pyrazole-4-sulfonamide
CID 105358866
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
3-amino-N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358431
4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 105358140
3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764
3-amino-N-(2-bromo-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358264
3-amino-N-(2-chloro-4,6-difluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359202
3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358660
N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358658
3-amino-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359031
3-amino-N-(2-cyano-4-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359179

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 105358010) is 3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(N)nn(C)c2C)cc1F.
What is the InChIKey of 3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is CSPOFTNYPKJAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-7-4-5-9(6-10(7)13)16-20(18,19)11-8(2)17(3)15-12(11)14/h4-6,16H,1-3H3,(H2,14,15).
What are the key properties of 3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).