N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C13H16FN3O2S — CID 15994905

IUPACN-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2S/c1-9-13(10(2)17(3)16-9)20(18,19)15-8-11-4-6-12(14)7-5-11/h4-7,15H,8H2,1-3H3
InChIKeyKPUOPRKCSLLRBV-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.65
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 15994905) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID15994905
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC NameN-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2S/c1-9-13(10(2)17(3)16-9)20(18,19)15-8-11-4-6-12(14)7-5-11/h4-7,15H,8H2,1-3H3
InChIKeyKPUOPRKCSLLRBV-UHFFFAOYSA-N
XLogP1.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 15994905) is N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is KPUOPRKCSLLRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-9-13(10(2)17(3)16-9)20(18,19)15-8-11-4-6-12(14)7-5-11/h4-7,15H,8H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 297.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 15994905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).