4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine

C19H21N5O2S — CID 122694079

IUPAC4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine
SMILESCS(=O)(=O)c1cccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C19H21N5O2S/c1-27(25,26)17-4-2-3-16(18(17)19-21-23-24-22-19)15-7-5-13(6-8-15)14-9-11-20-12-10-14/h2-8,14,20H,9-12H2,1H3,(H,21,22,23,24)
InChIKeyRZEXWNJHVCXTOU-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.40
Rot. Bonds4

About 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine

4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine (PubChem CID 122694079) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine.

Molecular Properties

Compound Name4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine
PubChem CID122694079
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine
SMILESCS(=O)(=O)c1cccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C19H21N5O2S/c1-27(25,26)17-4-2-3-16(18(17)19-21-23-24-22-19)15-7-5-13(6-8-15)14-9-11-20-12-10-14/h2-8,14,20H,9-12H2,1H3,(H,21,22,23,24)
InChIKeyRZEXWNJHVCXTOU-UHFFFAOYSA-N
XLogP2.40
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
CID 122694460
2-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]propane-1,3-diamine
CID 130230548
5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole
CID 122694052
4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
CID 84792848
3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266421
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine
CID 122694084
4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine
CID 122694139
4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide
CID 118257502
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-fluoropyrrolidin-3-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265977
[6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-1-yl]methanamine
CID 122694258

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine?
The IUPAC name of 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine (CID 122694079) is 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine.
What is the SMILES notation for 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine?
The canonical SMILES for 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine is CS(=O)(=O)c1cccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine?
The InChIKey is RZEXWNJHVCXTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-27(25,26)17-4-2-3-16(18(17)19-21-23-24-22-19)15-7-5-13(6-8-15)14-9-11-20-12-10-14/h2-8,14,20H,9-12H2,1H3,(H,21,22,23,24).
What are the key properties of 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine?
4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine has a molecular weight of 383.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine is sourced from PubChem (CID 122694079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).