5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide

C15H11ClFN3OS — CID 53163527

IUPAC5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H11ClFN3OS/c1-8-13(7-14(22-8)12-4-5-18-20-12)19-15(21)10-6-9(16)2-3-11(10)17/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeySXYHIFZLYPBIFQ-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.49
Rot. Bonds3

About 5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide

5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide (PubChem CID 53163527) has the molecular formula C15H11ClFN3OS and a molecular weight of 335.79 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
PubChem CID53163527
Molecular FormulaC15H11ClFN3OS
Molecular Weight335.79 g/mol
Exact Mass335.03
IUPAC Name5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H11ClFN3OS/c1-8-13(7-14(22-8)12-4-5-18-20-12)19-15(21)10-6-9(16)2-3-11(10)17/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeySXYHIFZLYPBIFQ-UHFFFAOYSA-N
XLogP4.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide 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 5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide (CID 53163527) is 5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide is Cc1sc(-c2ccn[nH]2)cc1NC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The InChIKey is SXYHIFZLYPBIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3OS/c1-8-13(7-14(22-8)12-4-5-18-20-12)19-15(21)10-6-9(16)2-3-11(10)17/h2-7H,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide has a molecular weight of 335.79 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53163527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).