N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C13H16FN3O2S — CID 8822589

IUPACN-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H16FN3O2S/c1-8-5-6-11(14)7-12(8)16-20(18,19)13-9(2)15-17(4)10(13)3/h5-7,16H,1-4H3
InChIKeyDGNSDORKEDBEIR-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.29
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 8822589) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID8822589
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC NameN-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H16FN3O2S/c1-8-5-6-11(14)7-12(8)16-20(18,19)13-9(2)15-17(4)10(13)3/h5-7,16H,1-4H3
InChIKeyDGNSDORKEDBEIR-UHFFFAOYSA-N
XLogP2.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-4-methyl-benzenesulfonamide
CID 6499783
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
4-fluoro-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 757080
N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]indoline hydrochloride
CID 6602882
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746
[(1,3-Dimethylpyrazol-4-yl)sulfonyl][6-methyl-2-(methylethyl)phenyl]amine
CID 6468977

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 8822589) is N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is DGNSDORKEDBEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-8-5-6-11(14)7-12(8)16-20(18,19)13-9(2)15-17(4)10(13)3/h5-7,16H,1-4H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 297.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 8822589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).