N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C12H15FN4O2S — CID 107334292

IUPACN-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C12H15FN4O2S/c1-7-12(8(2)17(3)15-7)20(18,19)16-11-5-9(13)4-10(14)6-11/h4-6,16H,14H2,1-3H3
InChIKeyRGAYKFCMBWJQFB-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.56
Rot. Bonds3

About N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 107334292) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID107334292
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC NameN-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C12H15FN4O2S/c1-7-12(8(2)17(3)15-7)20(18,19)16-11-5-9(13)4-10(14)6-11/h4-6,16H,14H2,1-3H3
InChIKeyRGAYKFCMBWJQFB-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

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
3-amino-1,5-dimethyl-N-(3,4,5-trifluorophenyl)pyrazole-4-sulfonamide
CID 105358866
N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65499921
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 154837399
N-(4-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63676567
N-(4-amino-2-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62064019
N-(2-amino-6-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 116813776
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203236
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 107334292) is N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(N)cc(F)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is RGAYKFCMBWJQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-7-12(8(2)17(3)15-7)20(18,19)16-11-5-9(13)4-10(14)6-11/h4-6,16H,14H2,1-3H3.
What are the key properties of N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-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 N-(3-amino-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 107334292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).