5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide

C15H12N6O3S — CID 34551806

IUPAC5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESCSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C15H12N6O3S/c1-25-12-5-6-14(21(23)24)13(8-12)15(22)17-10-3-2-4-11(7-10)20-9-16-18-19-20/h2-9H,1H3,(H,17,22)
InChIKeyISVYKMAZFIIIFC-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.54
Rot. Bonds5

About 5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide

5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 34551806) has the molecular formula C15H12N6O3S and a molecular weight of 356.37 g/mol. Its IUPAC name is 5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID34551806
Molecular FormulaC15H12N6O3S
Molecular Weight356.37 g/mol
Exact Mass356.07
IUPAC Name5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESCSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C15H12N6O3S/c1-25-12-5-6-14(21(23)24)13(8-12)15(22)17-10-3-2-4-11(7-10)20-9-16-18-19-20/h2-9H,1H3,(H,17,22)
InChIKeyISVYKMAZFIIIFC-UHFFFAOYSA-N
XLogP2.54
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyanophenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27872899
5-fluoro-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-nitrobenzamide
CID 154751509
4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 24617889
N-(3-chloro-4-fluorophenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27896493
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
N-methyl-5-methylsulfanyl-2-nitrobenzamide
CID 47128313
N-(2,3-dimethylphenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27872989
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 32696269
5-methylsulfanyl-2-nitrobenzohydrazide
CID 43091236
5-hydroxy-N-(4-methylsulfanylphenyl)-2-nitrobenzamide
CID 102740539
4-(dimethylsulfamoyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 8753105

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 34551806) is 5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide is CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of 5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is ISVYKMAZFIIIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O3S/c1-25-12-5-6-14(21(23)24)13(8-12)15(22)17-10-3-2-4-11(7-10)20-9-16-18-19-20/h2-9H,1H3,(H,17,22).
What are the key properties of 5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide?
5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 356.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-nitro-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 34551806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).