5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole

C16H13N7O2S — CID 122694052

IUPAC5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3nccn3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H13N7O2S/c1-26(24,25)14-4-2-3-13(15(14)16-19-21-22-20-16)11-5-7-12(8-6-11)23-17-9-10-18-23/h2-10H,1H3,(H,19,20,21,22)
InChIKeySGDFFAVIOYOEAJ-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.52
Rot. Bonds4

About 5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole

5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole (PubChem CID 122694052) has the molecular formula C16H13N7O2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole
PubChem CID122694052
Molecular FormulaC16H13N7O2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3nccn3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H13N7O2S/c1-26(24,25)14-4-2-3-13(15(14)16-19-21-22-20-16)11-5-7-12(8-6-11)23-17-9-10-18-23/h2-10H,1H3,(H,19,20,21,22)
InChIKeySGDFFAVIOYOEAJ-UHFFFAOYSA-N
XLogP1.52
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine
CID 122694084
2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine
CID 130230548
4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine
CID 122694139
4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine
CID 122694079
3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonic acid
CID 171351889
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
[6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-1-yl]methanamine
CID 122694258
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
CID 122694460
7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine
CID 122694122
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]thieno[3,2-c]pyridine
CID 122694319
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200

Frequently Asked Questions

What is the IUPAC name of 5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole (CID 122694052) is 5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole is CS(=O)(=O)c1cccc(-c2ccc(-n3nccn3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole?
The InChIKey is SGDFFAVIOYOEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2S/c1-26(24,25)14-4-2-3-13(15(14)16-19-21-22-20-16)11-5-7-12(8-6-11)23-17-9-10-18-23/h2-10H,1H3,(H,19,20,21,22).
What are the key properties of 5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole?
5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole has a molecular weight of 367.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 122694052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).