N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide

C13H17FN4O2S — CID 106056108

IUPACN-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C13H17FN4O2S/c1-8-6-10(4-5-11(8)14)18-21(19,20)13-9(2)16-17-12(13)7-15-3/h4-6,15,18H,7H2,1-3H3,(H,16,17)
InChIKeyHVJRKWGKJGKMAY-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.69
Rot. Bonds5

About N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide

N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106056108) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106056108
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC NameN-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C13H17FN4O2S/c1-8-6-10(4-5-11(8)14)18-21(19,20)13-9(2)16-17-12(13)7-15-3/h4-6,15,18H,7H2,1-3H3,(H,16,17)
InChIKeyHVJRKWGKJGKMAY-UHFFFAOYSA-N
XLogP1.69
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide (CID 106056108) is N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide is CNCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)c(C)c1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is HVJRKWGKJGKMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-8-6-10(4-5-11(8)14)18-21(19,20)13-9(2)16-17-12(13)7-15-3/h4-6,15,18H,7H2,1-3H3,(H,16,17).
What are the key properties of N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide?
N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106056108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).