4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine

C21H26ClN3O6S2 — CID 46088188

IUPAC4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H26ClN3O6S2/c1-30-21-7-6-19(33(28,29)25-12-14-31-15-13-25)16-20(21)23-8-10-24(11-9-23)32(26,27)18-4-2-17(22)3-5-18/h2-7,16H,8-15H2,1H3
InChIKeyYSRSXEWGOCKDDN-UHFFFAOYSA-N
MW516.04 g/mol
LogP1.88
Rot. Bonds6

About 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine

4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine (PubChem CID 46088188) has the molecular formula C21H26ClN3O6S2 and a molecular weight of 516.04 g/mol. Its IUPAC name is 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine
PubChem CID46088188
Molecular FormulaC21H26ClN3O6S2
Molecular Weight516.04 g/mol
Exact Mass515.10
IUPAC Name4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H26ClN3O6S2/c1-30-21-7-6-19(33(28,29)25-12-14-31-15-13-25)16-20(21)23-8-10-24(11-9-23)32(26,27)18-4-2-17(22)3-5-18/h2-7,16H,8-15H2,1H3
InChIKeyYSRSXEWGOCKDDN-UHFFFAOYSA-N
XLogP1.88
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.04
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine with MolForge

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Related Compounds

4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
ethyl 4-[4-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 46088258
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
CID 1255328
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665354
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(5-iodo-2-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 90110466
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 98418735
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46088940
1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
CID 113077853

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine (CID 46088188) is 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine is COc1ccc(S(=O)(=O)N2CCOCC2)cc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine?
The InChIKey is YSRSXEWGOCKDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O6S2/c1-30-21-7-6-19(33(28,29)25-12-14-31-15-13-25)16-20(21)23-8-10-24(11-9-23)32(26,27)18-4-2-17(22)3-5-18/h2-7,16H,8-15H2,1H3.
What are the key properties of 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine?
4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine has a molecular weight of 516.04 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine is sourced from PubChem (CID 46088188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).