4-(5-benzylsulfanyltetrazol-1-yl)benzamide

C15H13N5OS — CID 661352

IUPAC4-(5-benzylsulfanyltetrazol-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2nnnc2SCc2ccccc2)cc1
InChIInChI=1S/C15H13N5OS/c16-14(21)12-6-8-13(9-7-12)20-15(17-18-19-20)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,21)
InChIKeyWCPNHHAVNFPEKM-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.05
Rot. Bonds5

About 4-(5-benzylsulfanyltetrazol-1-yl)benzamide

4-(5-benzylsulfanyltetrazol-1-yl)benzamide (PubChem CID 661352) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-(5-benzylsulfanyltetrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-(5-benzylsulfanyltetrazol-1-yl)benzamide
PubChem CID661352
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name4-(5-benzylsulfanyltetrazol-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2nnnc2SCc2ccccc2)cc1
InChIInChI=1S/C15H13N5OS/c16-14(21)12-6-8-13(9-7-12)20-15(17-18-19-20)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,21)
InChIKeyWCPNHHAVNFPEKM-UHFFFAOYSA-N
XLogP2.05
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-benzylsulfanyltetrazol-1-yl)benzamide?
The IUPAC name of 4-(5-benzylsulfanyltetrazol-1-yl)benzamide (CID 661352) is 4-(5-benzylsulfanyltetrazol-1-yl)benzamide.
What is the SMILES notation for 4-(5-benzylsulfanyltetrazol-1-yl)benzamide?
The canonical SMILES for 4-(5-benzylsulfanyltetrazol-1-yl)benzamide is NC(=O)c1ccc(-n2nnnc2SCc2ccccc2)cc1.
What is the InChIKey of 4-(5-benzylsulfanyltetrazol-1-yl)benzamide?
The InChIKey is WCPNHHAVNFPEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c16-14(21)12-6-8-13(9-7-12)20-15(17-18-19-20)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,21).
What are the key properties of 4-(5-benzylsulfanyltetrazol-1-yl)benzamide?
4-(5-benzylsulfanyltetrazol-1-yl)benzamide has a molecular weight of 311.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzylsulfanyltetrazol-1-yl)benzamide is sourced from PubChem (CID 661352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).