4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine

C20H24N2O8S3 — CID 2054799

IUPAC4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H24N2O8S3/c23-31(24,17-3-1-5-19(15-17)32(25,26)21-7-11-29-12-8-21)18-4-2-6-20(16-18)33(27,28)22-9-13-30-14-10-22/h1-6,15-16H,7-14H2
InChIKeyMXUMQACQOIJENT-UHFFFAOYSA-N
MW516.62 g/mol
LogP0.56
Rot. Bonds6

About 4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine

4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine (PubChem CID 2054799) has the molecular formula C20H24N2O8S3 and a molecular weight of 516.62 g/mol. Its IUPAC name is 4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
PubChem CID2054799
Molecular FormulaC20H24N2O8S3
Molecular Weight516.62 g/mol
Exact Mass516.07
IUPAC Name4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H24N2O8S3/c23-31(24,17-3-1-5-19(15-17)32(25,26)21-7-11-29-12-8-21)18-4-2-6-20(16-18)33(27,28)22-9-13-30-14-10-22/h1-6,15-16H,7-14H2
InChIKeyMXUMQACQOIJENT-UHFFFAOYSA-N
XLogP0.56
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 651778
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
4-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylmorpholine
CID 1097196
4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 5301615
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 45106440
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
4-[3-[(3-methylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 167009339

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine (CID 2054799) is 4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine is O=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine?
The InChIKey is MXUMQACQOIJENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O8S3/c23-31(24,17-3-1-5-19(15-17)32(25,26)21-7-11-29-12-8-21)18-4-2-6-20(16-18)33(27,28)22-9-13-30-14-10-22/h1-6,15-16H,7-14H2.
What are the key properties of 4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine?
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine has a molecular weight of 516.62 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine is sourced from PubChem (CID 2054799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).