4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine

C15H22ClN3O3S — CID 991662

IUPAC4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine
SMILESCc1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl
InChIInChI=1S/C15H22ClN3O3S/c1-13-2-3-14(12-15(13)16)17-4-6-18(7-5-17)23(20,21)19-8-10-22-11-9-19/h2-3,12H,4-11H2,1H3
InChIKeyZQEMVUSZJWZREC-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.35
Rot. Bonds3

About 4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine

4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine (PubChem CID 991662) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine
PubChem CID991662
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine
SMILESCc1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl
InChIInChI=1S/C15H22ClN3O3S/c1-13-2-3-14(12-15(13)16)17-4-6-18(7-5-17)23(20,21)19-8-10-22-11-9-19/h2-3,12H,4-11H2,1H3
InChIKeyZQEMVUSZJWZREC-UHFFFAOYSA-N
XLogP1.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741
N-(3-chloro-4-methylphenyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]methanesulfonamide
CID 846437
N-(3-chloro-4-methylphenyl)morpholine-4-sulfonamide
CID 2985823
4-(3-chloro-4-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 700113
1-(5-Chloro-2-methylphenyl)-4-(1-piperidinylsulfonyl)piperazine
CID 991660
4-(3-Chloro-4-methylphenyl)-1-(piperidylsulfonyl)piperazine
CID 991659
1-{[4-(3-Chloro-4-methylphenyl)-1-piperazinyl]sulfonyl}azepane
CID 2236643
3-Chloro-4-((morpholin-4-yl)methyl)aniline
CID 28721838
4-[4-(4-Chlorophenyl)piperazin-1-yl]sulfonylmorpholine
CID 76310104
4-(3-Chloro-4-methylphenyl)piperazinyl morpholin-4-yl ketone
CID 889824
N-(3-chloro-4-methylphenyl)-2-morpholino-2-oxoacetamide
CID 23555757
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate
CID 71656981

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine (CID 991662) is 4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine is Cc1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl.
What is the InChIKey of 4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine?
The InChIKey is ZQEMVUSZJWZREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-13-2-3-14(12-15(13)16)17-4-6-18(7-5-17)23(20,21)19-8-10-22-11-9-19/h2-3,12H,4-11H2,1H3.
What are the key properties of 4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine?
4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine has a molecular weight of 359.88 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 991662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).