5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole

C16H16ClFN4S — CID 143961522

IUPAC5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole
SMILESCc1cccc(N2NNN=C2SCc2c(F)cccc2Cl)c1C
InChIInChI=1S/C16H16ClFN4S/c1-10-5-3-8-15(11(10)2)22-16(19-20-21-22)23-9-12-13(17)6-4-7-14(12)18/h3-8,20-21H,9H2,1-2H3
InChIKeySECDTJLAAHJUNA-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.13
Rot. Bonds3

About 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole

5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole (PubChem CID 143961522) has the molecular formula C16H16ClFN4S and a molecular weight of 350.85 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole
PubChem CID143961522
Molecular FormulaC16H16ClFN4S
Molecular Weight350.85 g/mol
Exact Mass350.08
IUPAC Name5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole
SMILESCc1cccc(N2NNN=C2SCc2c(F)cccc2Cl)c1C
InChIInChI=1S/C16H16ClFN4S/c1-10-5-3-8-15(11(10)2)22-16(19-20-21-22)23-9-12-13(17)6-4-7-14(12)18/h3-8,20-21H,9H2,1-2H3
InChIKeySECDTJLAAHJUNA-UHFFFAOYSA-N
XLogP4.13
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole with MolForge

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Related Compounds

(1R,5R)-3,7-bis[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,5-dimethyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole
CID 36688554
1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene
CID 2804332
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole
CID 662645
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3,5,6-trimethylpyrimidin-4-one
CID 7364280
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole
CID 17384024
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole
CID 4311422
N'-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanimidamide
CID 46246067
[4-[(2-chloro-6-fluorophenyl)methylsulfanyl]phenyl]methanol
CID 113371991
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300706
(1R)-1-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-N,N-dimethylethanamine
CID 7249760
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-[(2-methylphenyl)methyl]indole
CID 4133471
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
CID 43937068

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole (CID 143961522) is 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole is Cc1cccc(N2NNN=C2SCc2c(F)cccc2Cl)c1C.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole?
The InChIKey is SECDTJLAAHJUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4S/c1-10-5-3-8-15(11(10)2)22-16(19-20-21-22)23-9-12-13(17)6-4-7-14(12)18/h3-8,20-21H,9H2,1-2H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole?
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole has a molecular weight of 350.85 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,3-dimethylphenyl)-2,3-dihydrotetrazole is sourced from PubChem (CID 143961522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).