4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine

C16H21N3O5S2 — CID 71809049

IUPAC4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1
InChIInChI=1S/C16H21N3O5S2/c1-18-11-16(17-12-18)26(22,23)19-9-7-15(8-10-19)25(20,21)14-5-3-13(24-2)4-6-14/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyYSDAMUHEPDQNDM-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.06
Rot. Bonds5

About 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine

4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine (PubChem CID 71809049) has the molecular formula C16H21N3O5S2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
PubChem CID71809049
Molecular FormulaC16H21N3O5S2
Molecular Weight399.49 g/mol
Exact Mass399.09
IUPAC Name4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1
InChIInChI=1S/C16H21N3O5S2/c1-18-11-16(17-12-18)26(22,23)19-9-7-15(8-10-19)25(20,21)14-5-3-13(24-2)4-6-14/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyYSDAMUHEPDQNDM-UHFFFAOYSA-N
XLogP1.06
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-4-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20958623
4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane-5-carboxylic acid
CID 21340802
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepane-5-carboxamide
CID 21340801
1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592472
1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
CID 131934981
4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
CID 90592057
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592088
N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958655
(3R)-N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710886

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine (CID 71809049) is 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine is COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The InChIKey is YSDAMUHEPDQNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S2/c1-18-11-16(17-12-18)26(22,23)19-9-7-15(8-10-19)25(20,21)14-5-3-13(24-2)4-6-14/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine has a molecular weight of 399.49 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 71809049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).