1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone

C16H14N4O4S — CID 50992478

IUPAC1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone
SMILESCOc1ccccc1C(=O)CS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H14N4O4S/c1-24-15-10-6-5-9-13(15)14(21)11-25(22,23)16-17-18-19-20(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyUZHSKOPLGCKZQP-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.33
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone

1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone (PubChem CID 50992478) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone
PubChem CID50992478
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Name1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone
SMILESCOc1ccccc1C(=O)CS(=O)(=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H14N4O4S/c1-24-15-10-6-5-9-13(15)14(21)11-25(22,23)16-17-18-19-20(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyUZHSKOPLGCKZQP-UHFFFAOYSA-N
XLogP1.33
TPSA104.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone (CID 50992478) is 1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone is COc1ccccc1C(=O)CS(=O)(=O)c1nnnn1-c1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone?
The InChIKey is UZHSKOPLGCKZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-24-15-10-6-5-9-13(15)14(21)11-25(22,23)16-17-18-19-20(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone?
1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone has a molecular weight of 358.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfonylethanone is sourced from PubChem (CID 50992478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).