4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide

C16H15N5OS — CID 797522

IUPAC4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide
SMILESCc1ccccc1CSc1nnnn1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H15N5OS/c1-11-4-2-3-5-13(11)10-23-16-18-19-20-21(16)14-8-6-12(7-9-14)15(17)22/h2-9H,10H2,1H3,(H2,17,22)
InChIKeyZVWYIVHERPWMJA-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.36
Rot. Bonds5

About 4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide

4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide (PubChem CID 797522) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide
PubChem CID797522
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide
SMILESCc1ccccc1CSc1nnnn1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H15N5OS/c1-11-4-2-3-5-13(11)10-23-16-18-19-20-21(16)14-8-6-12(7-9-14)15(17)22/h2-9H,10H2,1H3,(H2,17,22)
InChIKeyZVWYIVHERPWMJA-UHFFFAOYSA-N
XLogP2.36
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The IUPAC name of 4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide (CID 797522) is 4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide is Cc1ccccc1CSc1nnnn1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The InChIKey is ZVWYIVHERPWMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-11-4-2-3-5-13(11)10-23-16-18-19-20-21(16)14-8-6-12(7-9-14)15(17)22/h2-9H,10H2,1H3,(H2,17,22).
What are the key properties of 4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide has a molecular weight of 325.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]benzamide is sourced from PubChem (CID 797522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).