1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole

C10H11ClN4O2S2 — CID 47096811

IUPAC1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole
SMILESCS(=O)(=O)CCSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN4O2S2/c1-19(16,17)7-6-18-10-12-13-14-15(10)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKeyFKYBCSSEKBTNEH-UHFFFAOYSA-N
MW318.81 g/mol
LogP1.45
Rot. Bonds5

About 1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole

1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole (PubChem CID 47096811) has the molecular formula C10H11ClN4O2S2 and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole
PubChem CID47096811
Molecular FormulaC10H11ClN4O2S2
Molecular Weight318.81 g/mol
Exact Mass318.00
IUPAC Name1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole
SMILESCS(=O)(=O)CCSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN4O2S2/c1-19(16,17)7-6-18-10-12-13-14-15(10)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKeyFKYBCSSEKBTNEH-UHFFFAOYSA-N
XLogP1.45
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
CID 60801602
1-(4-chlorophenyl)-5-(2-methylprop-2-enylsulfanyl)tetrazole
CID 47095766
1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole
CID 47124187
propan-2-yl 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetate
CID 47095765
1-(4-chlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615952
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide
CID 4584339
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9360103
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 31118650
3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42067106
2-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070462
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol
CID 7629751

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole (CID 47096811) is 1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole is CS(=O)(=O)CCSc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole?
The InChIKey is FKYBCSSEKBTNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S2/c1-19(16,17)7-6-18-10-12-13-14-15(10)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole?
1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole has a molecular weight of 318.81 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole is sourced from PubChem (CID 47096811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).