1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine

C20H22N4O3S — CID 121165211

IUPAC1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(n4nccn4)CC3)cc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-27-19-6-2-16(3-7-19)17-4-8-20(9-5-17)28(25,26)23-14-10-18(11-15-23)24-21-12-13-22-24/h2-9,12-13,18H,10-11,14-15H2,1H3
InChIKeyUYQVRWMNZICFMZ-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.98
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine

1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine (PubChem CID 121165211) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine
PubChem CID121165211
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(n4nccn4)CC3)cc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-27-19-6-2-16(3-7-19)17-4-8-20(9-5-17)28(25,26)23-14-10-18(11-15-23)24-21-12-13-22-24/h2-9,12-13,18H,10-11,14-15H2,1H3
InChIKeyUYQVRWMNZICFMZ-UHFFFAOYSA-N
XLogP2.98
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308435
2-[4-[4-(triazol-2-yl)piperidin-1-yl]sulfonylphenoxy]acetamide
CID 121165244
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
2-[1-[4-(3-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121178887
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 99877483
methyl 4-[3-(triazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate
CID 121178868
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine?
The IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine (CID 121165211) is 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine?
The canonical SMILES for 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine is COc1ccc(-c2ccc(S(=O)(=O)N3CCC(n4nccn4)CC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine?
The InChIKey is UYQVRWMNZICFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-27-19-6-2-16(3-7-19)17-4-8-20(9-5-17)28(25,26)23-14-10-18(11-15-23)24-21-12-13-22-24/h2-9,12-13,18H,10-11,14-15H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine?
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine has a molecular weight of 398.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine is sourced from PubChem (CID 121165211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).