1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole

C15H12Cl2N4S — CID 7856922

IUPAC1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole
SMILESC[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H12Cl2N4S/c1-10(13-4-2-3-5-14(13)17)22-15-18-19-20-21(15)12-8-6-11(16)7-9-12/h2-10H,1H3/t10-/m1/s1
InChIKeyOTVXUOQLXXQLTQ-SNVBAGLBSA-N
MW351.26 g/mol
LogP4.82
Rot. Bonds4

About 1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole

1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole (PubChem CID 7856922) has the molecular formula C15H12Cl2N4S and a molecular weight of 351.26 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole
PubChem CID7856922
Molecular FormulaC15H12Cl2N4S
Molecular Weight351.26 g/mol
Exact Mass350.02
IUPAC Name1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole
SMILESC[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C15H12Cl2N4S/c1-10(13-4-2-3-5-14(13)17)22-15-18-19-20-21(15)12-8-6-11(16)7-9-12/h2-10H,1H3/t10-/m1/s1
InChIKeyOTVXUOQLXXQLTQ-SNVBAGLBSA-N
XLogP4.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-1-(3,4-dimethylphenyl)tetrazole
CID 7534712
5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
CID 47124356
1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
CID 8859984
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7455244
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234344
3-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 8025445
1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole
CID 84888464
3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine
CID 7405377
(2S)-1-(3-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 2121300
N-(2-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16535777
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 16535787
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16535769

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole (CID 7856922) is 1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole is C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole?
The InChIKey is OTVXUOQLXXQLTQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H12Cl2N4S/c1-10(13-4-2-3-5-14(13)17)22-15-18-19-20-21(15)12-8-6-11(16)7-9-12/h2-10H,1H3/t10-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole?
1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole has a molecular weight of 351.26 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole is sourced from PubChem (CID 7856922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).