4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine

C16H17NO5S2 — CID 559422

IUPAC4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H17NO5S2/c18-23(19,14-4-2-1-3-5-14)15-6-8-16(9-7-15)24(20,21)17-10-12-22-13-11-17/h1-9H,10-13H2
InChIKeyGTYPLIRTHXRNOY-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.54
Rot. Bonds4

About 4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine

4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine (PubChem CID 559422) has the molecular formula C16H17NO5S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine
PubChem CID559422
Molecular FormulaC16H17NO5S2
Molecular Weight367.45 g/mol
Exact Mass367.05
IUPAC Name4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H17NO5S2/c18-23(19,14-4-2-1-3-5-14)15-6-8-16(9-7-15)24(20,21)17-10-12-22-13-11-17/h1-9H,10-13H2
InChIKeyGTYPLIRTHXRNOY-UHFFFAOYSA-N
XLogP1.54
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
4-(Phenylsulfonyl)morpholine
CID 95050
4-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
CID 1168274
4-(5-Benzenesulfonyl-2-methyl-benzenesulfonyl)-morpholine
CID 1097196
N,N-bis(but-2-ynyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 646302
4-(Morpholine-4-sulfonyl)benzene-1-sulfonyl chloride
CID 2779790
3-((3-(Morpholinosulfonyl)phenyl)sulfonyl)tetrahydrothiophene 1,1-dioxide
CID 42654967
Stk380091
CID 2885987
4-{[4-(Methylsulfanyl)phenyl]sulfonyl}morpholine
CID 967774
Zinc00286890
CID 559413
N,N-diethyl-4-(morpholin-4-ylsulfonyl)benzenesulfonamide
CID 631492
4-{[3-(Phenylsulfonyl)phenyl]sulfonyl}morpholine
CID 1076712

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine (CID 559422) is 4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine is O=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine?
The InChIKey is GTYPLIRTHXRNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S2/c18-23(19,14-4-2-1-3-5-14)15-6-8-16(9-7-15)24(20,21)17-10-12-22-13-11-17/h1-9H,10-13H2.
What are the key properties of 4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine?
4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine has a molecular weight of 367.45 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 559422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).