(3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide

C14H16FN3O3S — CID 95977686

IUPAC(3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide
SMILESC[C@@H](CC(=O)NS(=O)(=O)c1cnn(C)c1)c1ccccc1F
InChIInChI=1S/C14H16FN3O3S/c1-10(12-5-3-4-6-13(12)15)7-14(19)17-22(20,21)11-8-16-18(2)9-11/h3-6,8-10H,7H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyMXYCAMWNOSQUCS-JTQLQIEISA-N
MW325.37 g/mol
LogP1.56
Rot. Bonds5

About (3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide

(3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide (PubChem CID 95977686) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is (3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide.

Molecular Properties

Compound Name(3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide
PubChem CID95977686
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name(3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide
SMILESC[C@@H](CC(=O)NS(=O)(=O)c1cnn(C)c1)c1ccccc1F
InChIInChI=1S/C14H16FN3O3S/c1-10(12-5-3-4-6-13(12)15)7-14(19)17-22(20,21)11-8-16-18(2)9-11/h3-6,8-10H,7H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyMXYCAMWNOSQUCS-JTQLQIEISA-N
XLogP1.56
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide 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 (3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide?
The IUPAC name of (3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide (CID 95977686) is (3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide.
What is the SMILES notation for (3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide?
The canonical SMILES for (3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide is C[C@@H](CC(=O)NS(=O)(=O)c1cnn(C)c1)c1ccccc1F.
What is the InChIKey of (3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide?
The InChIKey is MXYCAMWNOSQUCS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-10(12-5-3-4-6-13(12)15)7-14(19)17-22(20,21)11-8-16-18(2)9-11/h3-6,8-10H,7H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide?
(3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide has a molecular weight of 325.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide is sourced from PubChem (CID 95977686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).