1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole

C15H13ClN4S — CID 8859984

IUPAC1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
SMILESC[C@@H](Sc1nnnn1-c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13ClN4S/c1-11(12-6-3-2-4-7-12)21-15-17-18-19-20(15)14-9-5-8-13(16)10-14/h2-11H,1H3/t11-/m1/s1
InChIKeyZDQCZLYCVLQDRA-LLVKDONJSA-N
MW316.82 g/mol
LogP4.17
Rot. Bonds4

About 1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole

1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole (PubChem CID 8859984) has the molecular formula C15H13ClN4S and a molecular weight of 316.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
PubChem CID8859984
Molecular FormulaC15H13ClN4S
Molecular Weight316.82 g/mol
Exact Mass316.05
IUPAC Name1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole
SMILESC[C@@H](Sc1nnnn1-c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13ClN4S/c1-11(12-6-3-2-4-7-12)21-15-17-18-19-20(15)14-9-5-8-13(16)10-14/h2-11H,1H3/t11-/m1/s1
InChIKeyZDQCZLYCVLQDRA-LLVKDONJSA-N
XLogP4.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.82
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole
CID 84888464
(2S)-1-(3-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 2121300
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 8858207
4-(3-chlorophenyl)-3-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazole
CID 25357022
(2R)-3-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-2-methylpropanenitrile
CID 8860060
(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N,N-dimethylpropanamide
CID 8860177
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 8859867
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
N-[1-(3-chlorophenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 18131067
(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8859040
(2S)-N-benzyl-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-ethylpropanamide
CID 8859379
1-(4-chlorophenyl)-5-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyltetrazole
CID 7856922

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole?
The IUPAC name of 1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole (CID 8859984) is 1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole?
The canonical SMILES for 1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole is C[C@@H](Sc1nnnn1-c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole?
The InChIKey is ZDQCZLYCVLQDRA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13ClN4S/c1-11(12-6-3-2-4-7-12)21-15-17-18-19-20(15)14-9-5-8-13(16)10-14/h2-11H,1H3/t11-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole?
1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole has a molecular weight of 316.82 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-[(1R)-1-phenylethyl]sulfanyltetrazole is sourced from PubChem (CID 8859984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).