N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H16FN3O2S — CID 43402492

IUPACN-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C13H16FN3O2S/c1-9-13(10(2)17-16-9)20(18,19)15-7-6-11-4-3-5-12(14)8-11/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyMTNYQRBNVKXOPK-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.69
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43402492) has the molecular formula C13H16FN3O2S and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43402492
Molecular FormulaC13H16FN3O2S
Molecular Weight297.35 g/mol
Exact Mass297.09
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C13H16FN3O2S/c1-9-13(10(2)17-16-9)20(18,19)15-7-6-11-4-3-5-12(14)8-11/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyMTNYQRBNVKXOPK-UHFFFAOYSA-N
XLogP1.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 43402492) is N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MTNYQRBNVKXOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-9-13(10(2)17-16-9)20(18,19)15-7-6-11-4-3-5-12(14)8-11/h3-5,8,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 297.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43402492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).