N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H12FN3O2S — CID 2683385

IUPACN-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H12FN3O2S/c1-7-11(8(2)14-13-7)18(16,17)15-10-5-3-9(12)4-6-10/h3-6,15H,1-2H3,(H,13,14)
InChIKeyJOWFPMXJWZVQNE-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.97
Rot. Bonds3

About N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 2683385) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID2683385
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC NameN-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H12FN3O2S/c1-7-11(8(2)14-13-7)18(16,17)15-10-5-3-9(12)4-6-10/h3-6,15H,1-2H3,(H,13,14)
InChIKeyJOWFPMXJWZVQNE-UHFFFAOYSA-N
XLogP1.97
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 2683385) is N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JOWFPMXJWZVQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-7-11(8(2)14-13-7)18(16,17)15-10-5-3-9(12)4-6-10/h3-6,15H,1-2H3,(H,13,14).
What are the key properties of N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 2683385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).