2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide

C16H13Cl2N5OS — CID 562587

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CSc1nnnn1Cc1ccccc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2N5OS/c17-12-7-4-8-13(18)15(12)19-14(24)10-25-16-20-21-22-23(16)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,24)
InChIKeyLNRVXEMJPGZNHV-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.76
Rot. Bonds6

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide (PubChem CID 562587) has the molecular formula C16H13Cl2N5OS and a molecular weight of 394.29 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
PubChem CID562587
Molecular FormulaC16H13Cl2N5OS
Molecular Weight394.29 g/mol
Exact Mass393.02
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CSc1nnnn1Cc1ccccc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2N5OS/c17-12-7-4-8-13(18)15(12)19-14(24)10-25-16-20-21-22-23(16)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,24)
InChIKeyLNRVXEMJPGZNHV-UHFFFAOYSA-N
XLogP3.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide (CID 562587) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide is O=C(CSc1nnnn1Cc1ccccc1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is LNRVXEMJPGZNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5OS/c17-12-7-4-8-13(18)15(12)19-14(24)10-25-16-20-21-22-23(16)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,24).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 394.29 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 562587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).