(2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine

C12H16ClNO3S — CID 743473

IUPAC(2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1
InChIInChI=1S/C12H16ClNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3/t9-,10+
InChIKeyJGMPAFWQQADXMO-AOOOYVTPSA-N
MW289.78 g/mol
LogP2.14
Rot. Bonds2

About (2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine

(2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 743473) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is (2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID743473
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name(2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1
InChIInChI=1S/C12H16ClNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3/t9-,10+
InChIKeyJGMPAFWQQADXMO-AOOOYVTPSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Chloro-benzenesulfonyl)-morpholine
CID 255686
4-Chloro-N-(3-morpholin-4-yl-propyl)-benzenesulfonamide
CID 2461433
2,6-Dimethyl-4-(phenylsulfonyl)morpholine
CID 2849564
4-(2-Chloro-benzenesulfonyl)-2-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-yl)-morpholine
CID 25014974
4,4'-[(4-Chloro-1,3-phenylene)disulfonyl]bis(2,6-dimethylmorpholine)
CID 2909375
1-[(4-Chlorophenyl)sulfonyl]-2-methylpiperidine
CID 5155899
N1-imino(morpholino)methyl-4-chlorobenzene-1-sulfonamide
CID 9583481
(NE)-4-chloro-N-(morpholin-4-ylmethylidene)benzenesulfonamide
CID 9568646
4-chloro-N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 935339
4-((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-2,6-dimethylmorpholine
CID 2940253
4-Chloro-N-morpholinobenzenesulfonamide
CID 897000
4-{2-[(4-Chlorophenyl)sulfonyl]ethyl}morpholine
CID 2818796

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine (CID 743473) is (2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine is C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is JGMPAFWQQADXMO-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3/t9-,10+.
What are the key properties of (2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine?
(2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 289.78 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 743473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).