5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide

C11H11ClFN5OS — CID 91766536

IUPAC5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide
SMILESCn1nnnc1SCCNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFN5OS/c1-18-11(15-16-17-18)20-5-4-14-10(19)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,14,19)
InChIKeyDGSXJNNQVNLSJV-UHFFFAOYSA-N
MW315.76 g/mol
LogP1.52
Rot. Bonds5

About 5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide

5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide (PubChem CID 91766536) has the molecular formula C11H11ClFN5OS and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide
PubChem CID91766536
Molecular FormulaC11H11ClFN5OS
Molecular Weight315.76 g/mol
Exact Mass315.04
IUPAC Name5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide
SMILESCn1nnnc1SCCNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFN5OS/c1-18-11(15-16-17-18)20-5-4-14-10(19)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,14,19)
InChIKeyDGSXJNNQVNLSJV-UHFFFAOYSA-N
XLogP1.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]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-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide (CID 91766536) is 5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide is Cn1nnnc1SCCNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide?
The InChIKey is DGSXJNNQVNLSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN5OS/c1-18-11(15-16-17-18)20-5-4-14-10(19)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,14,19).
What are the key properties of 5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide?
5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide has a molecular weight of 315.76 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]benzamide is sourced from PubChem (CID 91766536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).