(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine

C13H18ClNO3S — CID 39730574

IUPAC(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-9-6-12(4-5-13(9)14)19(16,17)15-7-10(2)18-11(3)8-15/h4-6,10-11H,7-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyGPWUUBVQKTXOIQ-QWRGUYRKSA-N
MW303.81 g/mol
LogP2.45
Rot. Bonds2

About (2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine

(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 39730574) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is (2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID39730574
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-9-6-12(4-5-13(9)14)19(16,17)15-7-10(2)18-11(3)8-15/h4-6,10-11H,7-8H2,1-3H3/t10-,11-/m0/s1
InChIKeyGPWUUBVQKTXOIQ-QWRGUYRKSA-N
XLogP2.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
2-(chloromethyl)-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 102938072
[2-chloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090579
[4-(3-amino-4-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931885
1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 15992527
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
(2R,6R)-4-(3-butoxy-4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 35202783
4-(3-butoxy-4-chlorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45146123
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
1-(4-chloro-3-methylphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075058

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 39730574) is (2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine is Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Cl.
What is the InChIKey of (2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is GPWUUBVQKTXOIQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-9-6-12(4-5-13(9)14)19(16,17)15-7-10(2)18-11(3)8-15/h4-6,10-11H,7-8H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 303.81 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 39730574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).