2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate

C15H9ClFN4O2S- — CID 4520504

IUPAC2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate
SMILESO=C([O-])c1cc(-n2nnnc2SCc2ccccc2F)ccc1Cl
InChIInChI=1S/C15H10ClFN4O2S/c16-12-6-5-10(7-11(12)14(22)23)21-15(18-19-20-21)24-8-9-3-1-2-4-13(9)17/h1-7H,8H2,(H,22,23)/p-1
InChIKeyWTEBZLOIWUPKDW-UHFFFAOYSA-M
MW363.78 g/mol
LogP2.11
Rot. Bonds5

About 2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate

2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate (PubChem CID 4520504) has the molecular formula C15H9ClFN4O2S- and a molecular weight of 363.78 g/mol. Its IUPAC name is 2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate.

Molecular Properties

Compound Name2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate
PubChem CID4520504
Molecular FormulaC15H9ClFN4O2S-
Molecular Weight363.78 g/mol
Exact Mass363.01
IUPAC Name2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate
SMILESO=C([O-])c1cc(-n2nnnc2SCc2ccccc2F)ccc1Cl
InChIInChI=1S/C15H10ClFN4O2S/c16-12-6-5-10(7-11(12)14(22)23)21-15(18-19-20-21)24-8-9-3-1-2-4-13(9)17/h1-7H,8H2,(H,22,23)/p-1
InChIKeyWTEBZLOIWUPKDW-UHFFFAOYSA-M
XLogP2.11
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]sulfanylacetate
CID 7473069
1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 833720
3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine
CID 3164590
1-(2-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7562916
1-(1,3-benzodioxol-5-yl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 5063177
N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8804407
1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
CID 7801928
4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid
CID 1389211
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615946
4-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 91144824
5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline
CID 38873350
8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline
CID 38837928

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
The IUPAC name of 2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate (CID 4520504) is 2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate.
What is the SMILES notation for 2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
The canonical SMILES for 2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate is O=C([O-])c1cc(-n2nnnc2SCc2ccccc2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
The InChIKey is WTEBZLOIWUPKDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10ClFN4O2S/c16-12-6-5-10(7-11(12)14(22)23)21-15(18-19-20-21)24-8-9-3-1-2-4-13(9)17/h1-7H,8H2,(H,22,23)/p-1.
What are the key properties of 2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate has a molecular weight of 363.78 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzoate is sourced from PubChem (CID 4520504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).