5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole

C17H16ClFN4S — CID 7561389

IUPAC5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole
SMILESCC(C)c1ccc(-n2nnnc2SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFN4S/c1-11(2)12-6-8-13(9-7-12)23-17(20-21-22-23)24-10-14-15(18)4-3-5-16(14)19/h3-9,11H,10H2,1-2H3
InChIKeyULCOXHYSTZDEGF-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.87
Rot. Bonds5

About 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole

5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole (PubChem CID 7561389) has the molecular formula C17H16ClFN4S and a molecular weight of 362.86 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole
PubChem CID7561389
Molecular FormulaC17H16ClFN4S
Molecular Weight362.86 g/mol
Exact Mass362.08
IUPAC Name5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole
SMILESCC(C)c1ccc(-n2nnnc2SCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H16ClFN4S/c1-11(2)12-6-8-13(9-7-12)23-17(20-21-22-23)24-10-14-15(18)4-3-5-16(14)19/h3-9,11H,10H2,1-2H3
InChIKeyULCOXHYSTZDEGF-UHFFFAOYSA-N
XLogP4.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615946
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9360103
1-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7561394
N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8804407
(1R)-1-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N,N-dimethylethanamine
CID 7249760
4-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931394
2-(4-fluorophenyl)-4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 24667836
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-amine
CID 937547
N-(2-chloro-4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8804256
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9407888
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole
CID 17384024
N-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7713576

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole (CID 7561389) is 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole is CC(C)c1ccc(-n2nnnc2SCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole?
The InChIKey is ULCOXHYSTZDEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4S/c1-11(2)12-6-8-13(9-7-12)23-17(20-21-22-23)24-10-14-15(18)4-3-5-16(14)19/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole?
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole has a molecular weight of 362.86 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole is sourced from PubChem (CID 7561389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).