1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone

C17H11ClN4O2S — CID 2732740

IUPAC1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C17H11ClN4O2S/c18-12-5-3-6-13(9-12)22-17(19-20-21-22)25-10-14(23)16-8-11-4-1-2-7-15(11)24-16/h1-9H,10H2
InChIKeyMTDWSGOZSZGAGC-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.04
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone

1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 2732740) has the molecular formula C17H11ClN4O2S and a molecular weight of 370.82 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone
PubChem CID2732740
Molecular FormulaC17H11ClN4O2S
Molecular Weight370.82 g/mol
Exact Mass370.03
IUPAC Name1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1cccc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C17H11ClN4O2S/c18-12-5-3-6-13(9-12)22-17(19-20-21-22)25-10-14(23)16-8-11-4-1-2-7-15(11)24-16/h1-9H,10H2
InChIKeyMTDWSGOZSZGAGC-UHFFFAOYSA-N
XLogP4.04
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone (CID 2732740) is 1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone is O=C(CSc1nnnn1-c1cccc(Cl)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is MTDWSGOZSZGAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2S/c18-12-5-3-6-13(9-12)22-17(19-20-21-22)25-10-14(23)16-8-11-4-1-2-7-15(11)24-16/h1-9H,10H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone?
1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 370.82 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 2732740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).