5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole

C16H15ClN4O2S — CID 2210679

IUPAC5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole
SMILESCc1cccc(C)c1-n1nnnc1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H15ClN4O2S/c1-11-6-5-7-12(2)15(11)21-16(18-19-20-21)24(22,23)10-13-8-3-4-9-14(13)17/h3-9H,10H2,1-2H3
InChIKeyGUOPMMJQELJQJM-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.91
Rot. Bonds4

About 5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole

5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole (PubChem CID 2210679) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole
PubChem CID2210679
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole
SMILESCc1cccc(C)c1-n1nnnc1S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H15ClN4O2S/c1-11-6-5-7-12(2)15(11)21-16(18-19-20-21)24(22,23)10-13-8-3-4-9-14(13)17/h3-9H,10H2,1-2H3
InChIKeyGUOPMMJQELJQJM-UHFFFAOYSA-N
XLogP2.91
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole (CID 2210679) is 5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole is Cc1cccc(C)c1-n1nnnc1S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole?
The InChIKey is GUOPMMJQELJQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c1-11-6-5-7-12(2)15(11)21-16(18-19-20-21)24(22,23)10-13-8-3-4-9-14(13)17/h3-9H,10H2,1-2H3.
What are the key properties of 5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole?
5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole has a molecular weight of 362.84 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole is sourced from PubChem (CID 2210679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).