5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole

C16H15ClN4OS — CID 2614031

IUPAC5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole
SMILESCCOc1ccccc1-n1nnnc1SCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4OS/c1-2-22-15-6-4-3-5-14(15)21-16(18-19-20-21)23-11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3
InChIKeyICUTURIJDYAIJD-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.01
Rot. Bonds6

About 5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole

5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole (PubChem CID 2614031) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole
PubChem CID2614031
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole
SMILESCCOc1ccccc1-n1nnnc1SCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4OS/c1-2-22-15-6-4-3-5-14(15)21-16(18-19-20-21)23-11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3
InChIKeyICUTURIJDYAIJD-UHFFFAOYSA-N
XLogP4.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate
CID 2614039
5-[(3,4-diethoxyphenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole
CID 1260803
3-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanenitrile
CID 29310629
ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate
CID 2632750
N-(2-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614104
5-[(4-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 2485632
2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 27159911
1-(azocan-1-yl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 26575522
1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole
CID 86801021
N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4802280
1-(4-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 3537880
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynylacetamide
CID 26575544

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole?
The IUPAC name of 5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole (CID 2614031) is 5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole.
What is the SMILES notation for 5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole?
The canonical SMILES for 5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole is CCOc1ccccc1-n1nnnc1SCc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole?
The InChIKey is ICUTURIJDYAIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-2-22-15-6-4-3-5-14(15)21-16(18-19-20-21)23-11-12-7-9-13(17)10-8-12/h3-10H,2,11H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole?
5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole has a molecular weight of 346.84 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole is sourced from PubChem (CID 2614031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).