1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide

C14H18FN3O2S — CID 71688206

IUPAC1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCc2ccccc2F)c1C
InChIInChI=1S/C14H18FN3O2S/c1-4-18-11(3)14(10(2)17-18)21(19,20)16-9-12-7-5-6-8-13(12)15/h5-8,16H,4,9H2,1-3H3
InChIKeyRMXARAGPEFAWBN-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.14
Rot. Bonds5

About 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide

1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 71688206) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID71688206
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCc2ccccc2F)c1C
InChIInChI=1S/C14H18FN3O2S/c1-4-18-11(3)14(10(2)17-18)21(19,20)16-9-12-7-5-6-8-13(12)15/h5-8,16H,4,9H2,1-3H3
InChIKeyRMXARAGPEFAWBN-UHFFFAOYSA-N
XLogP2.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide (CID 71688206) is 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)NCc2ccccc2F)c1C.
What is the InChIKey of 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is RMXARAGPEFAWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-4-18-11(3)14(10(2)17-18)21(19,20)16-9-12-7-5-6-8-13(12)15/h5-8,16H,4,9H2,1-3H3.
What are the key properties of 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 311.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).