N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide

C13H14FN3O3S — CID 71978359

IUPACN-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide
SMILESCCn1cc(S(=O)(=O)NC(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C13H14FN3O3S/c1-2-17-9-12(8-15-17)21(19,20)16-13(18)7-10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,16,18)
InChIKeyKTSYPJWVHZMMLK-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.09
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide

N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide (PubChem CID 71978359) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide
PubChem CID71978359
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC NameN-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide
SMILESCCn1cc(S(=O)(=O)NC(=O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C13H14FN3O3S/c1-2-17-9-12(8-15-17)21(19,20)16-13(18)7-10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,16,18)
InChIKeyKTSYPJWVHZMMLK-UHFFFAOYSA-N
XLogP1.09
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide 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 N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide (CID 71978359) is N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide is CCn1cc(S(=O)(=O)NC(=O)Cc2ccc(F)cc2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide?
The InChIKey is KTSYPJWVHZMMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-2-17-9-12(8-15-17)21(19,20)16-13(18)7-10-3-5-11(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,16,18).
What are the key properties of N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide?
N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 71978359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).