1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine

C15H20N4O5S2 — CID 90592472

IUPAC1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)cc1
InChIInChI=1S/C15H20N4O5S2/c1-18-11-16-17-15(18)25(20,21)13-7-9-19(10-8-13)26(22,23)14-5-3-12(24-2)4-6-14/h3-6,11,13H,7-10H2,1-2H3
InChIKeyDBLCFKIIVVMTBN-UHFFFAOYSA-N
MW400.48 g/mol
LogP0.45
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine

1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine (PubChem CID 90592472) has the molecular formula C15H20N4O5S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
PubChem CID90592472
Molecular FormulaC15H20N4O5S2
Molecular Weight400.48 g/mol
Exact Mass400.09
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)cc1
InChIInChI=1S/C15H20N4O5S2/c1-18-11-16-17-15(18)25(20,21)13-7-9-19(10-8-13)26(22,23)14-5-3-12(24-2)4-6-14/h3-6,11,13H,7-10H2,1-2H3
InChIKeyDBLCFKIIVVMTBN-UHFFFAOYSA-N
XLogP0.45
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 71809113
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-(3-phenylphenyl)sulfonylpiperidine
CID 90592493
4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 71809049
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592455
1-(2-ethoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592429
4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
CID 90592057
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
CID 90592387
3-(2,4-dimethoxyphenyl)-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]propan-1-one
CID 90592217
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
CID 90592067

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine (CID 90592472) is 1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine is COc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine?
The InChIKey is DBLCFKIIVVMTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S2/c1-18-11-16-17-15(18)25(20,21)13-7-9-19(10-8-13)26(22,23)14-5-3-12(24-2)4-6-14/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine?
1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine has a molecular weight of 400.48 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine is sourced from PubChem (CID 90592472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).