4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine

C17H26ClN3O5S2 — CID 55627500

IUPAC4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C17H26ClN3O5S2/c1-13-4-5-16(18)10-17(13)27(22,23)19-6-8-20(9-7-19)28(24,25)21-11-14(2)26-15(3)12-21/h4-5,10,14-15H,6-9,11-12H2,1-3H3
InChIKeyWRYSNVGFUCUIIA-UHFFFAOYSA-N
MW452.00 g/mol
LogP1.31
Rot. Bonds4

About 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine

4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine (PubChem CID 55627500) has the molecular formula C17H26ClN3O5S2 and a molecular weight of 452.00 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
PubChem CID55627500
Molecular FormulaC17H26ClN3O5S2
Molecular Weight452.00 g/mol
Exact Mass451.10
IUPAC Name4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C17H26ClN3O5S2/c1-13-4-5-16(18)10-17(13)27(22,23)19-6-8-20(9-7-19)28(24,25)21-11-14(2)26-15(3)12-21/h4-5,10,14-15H,6-9,11-12H2,1-3H3
InChIKeyWRYSNVGFUCUIIA-UHFFFAOYSA-N
XLogP1.31
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55627528
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 46452449
1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576451
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 43063031
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597276
(2S,6S)-2,6-dimethyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
CID 7510206

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine (CID 55627500) is 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine is Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The InChIKey is WRYSNVGFUCUIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O5S2/c1-13-4-5-16(18)10-17(13)27(22,23)19-6-8-20(9-7-19)28(24,25)21-11-14(2)26-15(3)12-21/h4-5,10,14-15H,6-9,11-12H2,1-3H3.
What are the key properties of 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine has a molecular weight of 452.00 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 55627500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).