4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide

C15H12IN5OS — CID 38679629

IUPAC4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C15H12IN5OS/c1-23-15-18-19-20-21(15)13-4-2-3-12(9-13)17-14(22)10-5-7-11(16)8-6-10/h2-9H,1H3,(H,17,22)
InChIKeyAPUIDUQXFQBTPH-UHFFFAOYSA-N
MW437.27 g/mol
LogP3.24
Rot. Bonds4

About 4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide

4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (PubChem CID 38679629) has the molecular formula C15H12IN5OS and a molecular weight of 437.27 g/mol. Its IUPAC name is 4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
PubChem CID38679629
Molecular FormulaC15H12IN5OS
Molecular Weight437.27 g/mol
Exact Mass436.98
IUPAC Name4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C15H12IN5OS/c1-23-15-18-19-20-21(15)13-4-2-3-12(9-13)17-14(22)10-5-7-11(16)8-6-10/h2-9H,1H3,(H,17,22)
InChIKeyAPUIDUQXFQBTPH-UHFFFAOYSA-N
XLogP3.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
4-fluoro-2-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55966320
4-bromo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-nitrobenzamide
CID 39127432
4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55870096
2-butyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 38680986
5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39126999
N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 56509027
3-(diethylsulfamoyl)-4-fluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55608986
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55584640
1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78860229

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (CID 38679629) is 4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is CSc1nnnn1-c1cccc(NC(=O)c2ccc(I)cc2)c1.
What is the InChIKey of 4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The InChIKey is APUIDUQXFQBTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN5OS/c1-23-15-18-19-20-21(15)13-4-2-3-12(9-13)17-14(22)10-5-7-11(16)8-6-10/h2-9H,1H3,(H,17,22).
What are the key properties of 4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide has a molecular weight of 437.27 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 38679629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).