8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline

C17H11ClFN5S — CID 38837928

IUPAC8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline
SMILESFc1cc(CSc2nnnn2-c2cccc(Cl)c2)c2ncccc2c1
InChIInChI=1S/C17H11ClFN5S/c18-13-4-1-5-15(9-13)24-17(21-22-23-24)25-10-12-8-14(19)7-11-3-2-6-20-16(11)12/h1-9H,10H2
InChIKeyPFCJHEJJVMJROR-UHFFFAOYSA-N
MW371.83 g/mol
LogP4.30
Rot. Bonds4

About 8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline

8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline (PubChem CID 38837928) has the molecular formula C17H11ClFN5S and a molecular weight of 371.83 g/mol. Its IUPAC name is 8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline.

Molecular Properties

Compound Name8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline
PubChem CID38837928
Molecular FormulaC17H11ClFN5S
Molecular Weight371.83 g/mol
Exact Mass371.04
IUPAC Name8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline
SMILESFc1cc(CSc2nnnn2-c2cccc(Cl)c2)c2ncccc2c1
InChIInChI=1S/C17H11ClFN5S/c18-13-4-1-5-15(9-13)24-17(21-22-23-24)25-10-12-8-14(19)7-11-3-2-6-20-16(11)12/h1-9H,10H2
InChIKeyPFCJHEJJVMJROR-UHFFFAOYSA-N
XLogP4.30
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline
CID 38873350
2-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 18122497
1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 833720
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(3-chlorophenyl)tetrazole
CID 8861158
1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
CID 7801928
3-(3-chlorophenyl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 9399417
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 8859943
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
CID 17437726
5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole
CID 134065468
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
CID 7562922
1-[3-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 8858539

Frequently Asked Questions

What is the IUPAC name of 8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline?
The IUPAC name of 8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline (CID 38837928) is 8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline.
What is the SMILES notation for 8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline?
The canonical SMILES for 8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline is Fc1cc(CSc2nnnn2-c2cccc(Cl)c2)c2ncccc2c1.
What is the InChIKey of 8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline?
The InChIKey is PFCJHEJJVMJROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5S/c18-13-4-1-5-15(9-13)24-17(21-22-23-24)25-10-12-8-14(19)7-11-3-2-6-20-16(11)12/h1-9H,10H2.
What are the key properties of 8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline?
8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline has a molecular weight of 371.83 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline is sourced from PubChem (CID 38837928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).