(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine

C17H18ClNO4S — CID 42109148

IUPAC(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C17H18ClNO4S/c1-22-15-8-7-14(18)11-17(15)24(20,21)19-9-10-23-16(12-19)13-5-3-2-4-6-13/h2-8,11,16H,9-10,12H2,1H3/t16-/m0/s1
InChIKeyCYCLMSLTUOHBBS-INIZCTEOSA-N
MW367.85 g/mol
LogP3.11
Rot. Bonds4

About (2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine

(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine (PubChem CID 42109148) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is (2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine.

Molecular Properties

Compound Name(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
PubChem CID42109148
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C17H18ClNO4S/c1-22-15-8-7-14(18)11-17(15)24(20,21)19-9-10-23-16(12-19)13-5-3-2-4-6-13/h2-8,11,16H,9-10,12H2,1H3/t16-/m0/s1
InChIKeyCYCLMSLTUOHBBS-INIZCTEOSA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326818
2-(4-chlorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 110327129
2-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110327027
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylazepane
CID 121146270
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326792
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine
CID 16895275
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
CID 110364059
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103
3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740287
(2S)-4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 95366969

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine?
The IUPAC name of (2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine (CID 42109148) is (2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine.
What is the SMILES notation for (2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine?
The canonical SMILES for (2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine is COc1ccc(Cl)cc1S(=O)(=O)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of (2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine?
The InChIKey is CYCLMSLTUOHBBS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-22-15-8-7-14(18)11-17(15)24(20,21)19-9-10-23-16(12-19)13-5-3-2-4-6-13/h2-8,11,16H,9-10,12H2,1H3/t16-/m0/s1.
What are the key properties of (2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine?
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine has a molecular weight of 367.85 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine is sourced from PubChem (CID 42109148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).