(2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine

C15H18ClN3O3S — CID 95167565

IUPAC(2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine
SMILESCc1nc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cn1C
InChIInChI=1S/C15H18ClN3O3S/c1-11-17-15(10-18(11)2)23(20,21)19-7-8-22-14(9-19)12-3-5-13(16)6-4-12/h3-6,10,14H,7-9H2,1-2H3/t14-/m0/s1
InChIKeyJSNCCWIQQYPUAB-AWEZNQCLSA-N
MW355.85 g/mol
LogP2.14
Rot. Bonds3

About (2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine

(2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine (PubChem CID 95167565) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine
PubChem CID95167565
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name(2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine
SMILESCc1nc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cn1C
InChIInChI=1S/C15H18ClN3O3S/c1-11-17-15(10-18(11)2)23(20,21)19-7-8-22-14(9-19)12-3-5-13(16)6-4-12/h3-6,10,14H,7-9H2,1-2H3/t14-/m0/s1
InChIKeyJSNCCWIQQYPUAB-AWEZNQCLSA-N
XLogP2.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N,N-dimethylmorpholine-4-sulfonamide
CID 47320271
(2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine
CID 124953478
2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
CID 110105107
2-(4-chlorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 110327129
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
4-(3-bromopyrrolidin-1-yl)sulfonyl-1,2-dimethylimidazole
CID 80667755
2-(4-chlorophenyl)-N-propylmorpholine-4-sulfonamide
CID 110609493
(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
CID 96545659
3-[2-(4-chlorophenyl)morpholin-4-yl]sulfonylbenzoic acid
CID 110416888
5-chloro-2-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]sulfonylbenzonitrile
CID 128998920
(3R,4S)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-fluorophenyl)pyrrolidin-3-amine
CID 90404562
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-methylpiperidin-3-amine
CID 62536924

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine (CID 95167565) is (2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine is Cc1nc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cn1C.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine?
The InChIKey is JSNCCWIQQYPUAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-11-17-15(10-18(11)2)23(20,21)19-7-8-22-14(9-19)12-3-5-13(16)6-4-12/h3-6,10,14H,7-9H2,1-2H3/t14-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine?
(2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine has a molecular weight of 355.85 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 95167565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).