(2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine

C14H12BrCl2NO3S2 — CID 97106617

IUPAC(2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C14H12BrCl2NO3S2/c15-13-1-2-14(22-13)23(19,20)18-3-4-21-12(8-18)9-5-10(16)7-11(17)6-9/h1-2,5-7,12H,3-4,8H2/t12-/m1/s1
InChIKeyZOCCWDQMCNMZGQ-GFCCVEGCSA-N
MW457.20 g/mol
LogP4.58
Rot. Bonds3

About (2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine

(2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine (PubChem CID 97106617) has the molecular formula C14H12BrCl2NO3S2 and a molecular weight of 457.20 g/mol. Its IUPAC name is (2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine
PubChem CID97106617
Molecular FormulaC14H12BrCl2NO3S2
Molecular Weight457.20 g/mol
Exact Mass454.88
IUPAC Name(2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C14H12BrCl2NO3S2/c15-13-1-2-14(22-13)23(19,20)18-3-4-21-12(8-18)9-5-10(16)7-11(17)6-9/h1-2,5-7,12H,3-4,8H2/t12-/m1/s1
InChIKeyZOCCWDQMCNMZGQ-GFCCVEGCSA-N
XLogP4.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.20
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine
CID 110364335
1-[4-[2-(3,5-dichlorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
CID 121134630
(2R)-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 25281404
(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400004
2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
CID 121134610
4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine
CID 110364559
1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
CID 115872296
2-(3-chlorophenyl)-4-(4-ethylphenyl)sulfonylmorpholine
CID 110327021
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
(3S)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 94917781
(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827482

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine?
The IUPAC name of (2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine (CID 97106617) is (2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine.
What is the SMILES notation for (2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine?
The canonical SMILES for (2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine is O=S(=O)(c1ccc(Br)s1)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine?
The InChIKey is ZOCCWDQMCNMZGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H12BrCl2NO3S2/c15-13-1-2-14(22-13)23(19,20)18-3-4-21-12(8-18)9-5-10(16)7-11(17)6-9/h1-2,5-7,12H,3-4,8H2/t12-/m1/s1.
What are the key properties of (2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine?
(2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine has a molecular weight of 457.20 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine is sourced from PubChem (CID 97106617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).