2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine

C15H15Cl2NO3S2 — CID 110364335

IUPAC2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)s1
InChIInChI=1S/C15H15Cl2NO3S2/c1-10-2-5-15(22-10)23(19,20)18-6-7-21-14(9-18)11-3-4-12(16)13(17)8-11/h2-5,8,14H,6-7,9H2,1H3
InChIKeyPMBTZQBCHZKKJS-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.13
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine

2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine (PubChem CID 110364335) has the molecular formula C15H15Cl2NO3S2 and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine
PubChem CID110364335
Molecular FormulaC15H15Cl2NO3S2
Molecular Weight392.33 g/mol
Exact Mass390.99
IUPAC Name2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)s1
InChIInChI=1S/C15H15Cl2NO3S2/c1-10-2-5-15(22-10)23(19,20)18-6-7-21-14(9-18)11-3-4-12(16)13(17)8-11/h2-5,8,14H,6-7,9H2,1H3
InChIKeyPMBTZQBCHZKKJS-UHFFFAOYSA-N
XLogP4.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 25281404
(2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine
CID 97106617
(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400004
4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine
CID 110364559
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 94919570
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
(2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine
CID 95167565
4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine
CID 56581847
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 62067377
4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 129001065
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine (CID 110364335) is 2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine is Cc1ccc(S(=O)(=O)N2CCOC(c3ccc(Cl)c(Cl)c3)C2)s1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine?
The InChIKey is PMBTZQBCHZKKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S2/c1-10-2-5-15(22-10)23(19,20)18-6-7-21-14(9-18)11-3-4-12(16)13(17)8-11/h2-5,8,14H,6-7,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine?
2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine has a molecular weight of 392.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine is sourced from PubChem (CID 110364335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).