5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole

C17H17ClN4S — CID 7534712

IUPAC5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2S[C@H](C)c2ccccc2Cl)cc1C
InChIInChI=1S/C17H17ClN4S/c1-11-8-9-14(10-12(11)2)22-17(19-20-21-22)23-13(3)15-6-4-5-7-16(15)18/h4-10,13H,1-3H3/t13-/m1/s1
InChIKeyUYYLWKKUYQHJLO-CYBMUJFWSA-N
MW344.87 g/mol
LogP4.79
Rot. Bonds4

About 5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole

5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole (PubChem CID 7534712) has the molecular formula C17H17ClN4S and a molecular weight of 344.87 g/mol. Its IUPAC name is 5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole
PubChem CID7534712
Molecular FormulaC17H17ClN4S
Molecular Weight344.87 g/mol
Exact Mass344.09
IUPAC Name5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2S[C@H](C)c2ccccc2Cl)cc1C
InChIInChI=1S/C17H17ClN4S/c1-11-8-9-14(10-12(11)2)22-17(19-20-21-22)23-13(3)15-6-4-5-7-16(15)18/h4-10,13H,1-3H3/t13-/m1/s1
InChIKeyUYYLWKKUYQHJLO-CYBMUJFWSA-N
XLogP4.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole
CID 7856922
1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole
CID 84888464
(2S)-N-(2-chlorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9382865
5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
CID 47124356
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7661580
1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8859984
(2R)-N-(4-chlorophenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7661558
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylphenyl)propan-1-one
CID 78519772
3-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 8025445
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluorophenyl)propanamide
CID 9382876
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7534634
2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 33453638

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole?
The IUPAC name of 5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole (CID 7534712) is 5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole.
What is the SMILES notation for 5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole?
The canonical SMILES for 5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole is Cc1ccc(-n2nnnc2S[C@H](C)c2ccccc2Cl)cc1C.
What is the InChIKey of 5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole?
The InChIKey is UYYLWKKUYQHJLO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClN4S/c1-11-8-9-14(10-12(11)2)22-17(19-20-21-22)23-13(3)15-6-4-5-7-16(15)18/h4-10,13H,1-3H3/t13-/m1/s1.
What are the key properties of 5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole?
5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole has a molecular weight of 344.87 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole is sourced from PubChem (CID 7534712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).