1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone

C16H19ClN4O2S — CID 1452205

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone
SMILESCOc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCCC1
InChIInChI=1S/C16H19ClN4O2S/c1-23-15-8-7-11(17)9-13(15)14(22)10-24-16-18-19-20-21(16)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3
InChIKeyWGSDXPBLMFVOKN-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.82
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone

1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone (PubChem CID 1452205) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone
PubChem CID1452205
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone
SMILESCOc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCCC1
InChIInChI=1S/C16H19ClN4O2S/c1-23-15-8-7-11(17)9-13(15)14(22)10-24-16-18-19-20-21(16)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3
InChIKeyWGSDXPBLMFVOKN-UHFFFAOYSA-N
XLogP3.82
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone (CID 1452205) is 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone is COc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone?
The InChIKey is WGSDXPBLMFVOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-23-15-8-7-11(17)9-13(15)14(22)10-24-16-18-19-20-21(16)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone?
1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone has a molecular weight of 366.87 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 1452205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).