2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone

C17H15ClN4O2S — CID 3231634

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cl)cc1C(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C17H15ClN4O2S/c1-24-16-8-7-13(18)9-14(16)15(23)11-25-17-19-20-21-22(17)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyDVVCOEUGTDXMAT-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.36
Rot. Bonds7

About 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone

2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone (PubChem CID 3231634) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone
PubChem CID3231634
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cl)cc1C(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C17H15ClN4O2S/c1-24-16-8-7-13(18)9-14(16)15(23)11-25-17-19-20-21-22(17)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyDVVCOEUGTDXMAT-UHFFFAOYSA-N
XLogP3.36
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone (CID 3231634) is 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone is COc1ccc(Cl)cc1C(=O)CSc1nnnn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone?
The InChIKey is DVVCOEUGTDXMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-24-16-8-7-13(18)9-14(16)15(23)11-25-17-19-20-21-22(17)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3.
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone?
2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone has a molecular weight of 374.85 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 3231634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).