(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine

C13H17Br2NO3S — CID 103931355

IUPAC(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1Br
InChIInChI=1S/C13H17Br2NO3S/c1-8-4-12(15)13(5-11(8)14)20(17,18)16-6-9(2)19-10(3)7-16/h4-5,9-10H,6-7H2,1-3H3/t9-,10+
InChIKeyKWHNDDCYOLRFKH-AOOOYVTPSA-N
MW427.16 g/mol
LogP3.32
Rot. Bonds2

About (2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine

(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 103931355) has the molecular formula C13H17Br2NO3S and a molecular weight of 427.16 g/mol. Its IUPAC name is (2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID103931355
Molecular FormulaC13H17Br2NO3S
Molecular Weight427.16 g/mol
Exact Mass424.93
IUPAC Name(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1Br
InChIInChI=1S/C13H17Br2NO3S/c1-8-4-12(15)13(5-11(8)14)20(17,18)16-6-9(2)19-10(3)7-16/h4-5,9-10H,6-7H2,1-3H3/t9-,10+
InChIKeyKWHNDDCYOLRFKH-AOOOYVTPSA-N
XLogP3.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.16
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7314575
4-(2,5-dibromo-4-methylphenyl)sulfonyl-2-methyl-1,4-oxazepane
CID 80708119
(2R,6R)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185861
(2R,6S)-4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185850
4-(2,5-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45153824
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
(2S,6R)-4-[3-bromo-5-(chloromethyl)-2-methylphenyl]sulfonyl-2,6-dimethylmorpholine
CID 104961513
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
1-(2,5-dibromo-4-methylphenyl)sulfonyl-4-methylpyrrolidin-2-one
CID 81423253
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluoro-4-methylaniline
CID 104957721
4-chloro-1-(2,5-dibromo-4-methylphenyl)sulfonylpiperidine
CID 81326731

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 103931355) is (2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine is Cc1cc(Br)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1Br.
What is the InChIKey of (2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is KWHNDDCYOLRFKH-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H17Br2NO3S/c1-8-4-12(15)13(5-11(8)14)20(17,18)16-6-9(2)19-10(3)7-16/h4-5,9-10H,6-7H2,1-3H3/t9-,10+.
What are the key properties of (2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 427.16 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 103931355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).