5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole

C18H12ClFN4S — CID 134065468

IUPAC5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole
SMILESFc1cc(Cl)ccc1CSc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C18H12ClFN4S/c19-14-9-8-13(16(20)10-14)11-25-18-21-22-23-24(18)17-7-3-5-12-4-1-2-6-15(12)17/h1-10H,11H2
InChIKeyRZTCLLVDJMWWFD-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.90
Rot. Bonds4

About 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole

5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole (PubChem CID 134065468) has the molecular formula C18H12ClFN4S and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole.

Molecular Properties

Compound Name5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole
PubChem CID134065468
Molecular FormulaC18H12ClFN4S
Molecular Weight370.84 g/mol
Exact Mass370.05
IUPAC Name5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole
SMILESFc1cc(Cl)ccc1CSc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C18H12ClFN4S/c19-14-9-8-13(16(20)10-14)11-25-18-21-22-23-24(18)17-7-3-5-12-4-1-2-6-15(12)17/h1-10H,11H2
InChIKeyRZTCLLVDJMWWFD-UHFFFAOYSA-N
XLogP4.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 2390682
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7646433
1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
CID 7801928
1-naphthalen-1-yl-5-[(4-nitrophenyl)methylsulfanyl]tetrazole
CID 1249634
8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline
CID 38837928
1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole
CID 833720
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 71588654
5-chloro-8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]quinoline
CID 38873350
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
CID 7562922
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-phenylacetamide
CID 2265468
N-[2-[5-[(4-chloro-2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
CID 114859690

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole?
The IUPAC name of 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole (CID 134065468) is 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole.
What is the SMILES notation for 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole?
The canonical SMILES for 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole is Fc1cc(Cl)ccc1CSc1nnnn1-c1cccc2ccccc12.
What is the InChIKey of 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole?
The InChIKey is RZTCLLVDJMWWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4S/c19-14-9-8-13(16(20)10-14)11-25-18-21-22-23-24(18)17-7-3-5-12-4-1-2-6-15(12)17/h1-10H,11H2.
What are the key properties of 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole?
5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole has a molecular weight of 370.84 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole is sourced from PubChem (CID 134065468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).