3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

C11H14Br2N2O3S — CID 106773824

IUPAC3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESC[C@@H]1COCCN1S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H14Br2N2O3S/c1-7-6-18-3-2-15(7)19(16,17)11-9(12)4-8(14)5-10(11)13/h4-5,7H,2-3,6,14H2,1H3/t7-/m1/s1
InChIKeyBCBJCVIHIYTAHP-SSDOTTSWSA-N
MW414.12 g/mol
LogP2.20
Rot. Bonds2

About 3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (PubChem CID 106773824) has the molecular formula C11H14Br2N2O3S and a molecular weight of 414.12 g/mol. Its IUPAC name is 3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.

Molecular Properties

Compound Name3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
PubChem CID106773824
Molecular FormulaC11H14Br2N2O3S
Molecular Weight414.12 g/mol
Exact Mass411.91
IUPAC Name3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESC[C@@H]1COCCN1S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C11H14Br2N2O3S/c1-7-6-18-3-2-15(7)19(16,17)11-9(12)4-8(14)5-10(11)13/h4-5,7H,2-3,6,14H2,1H3/t7-/m1/s1
InChIKeyBCBJCVIHIYTAHP-SSDOTTSWSA-N
XLogP2.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111095
2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773727
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine
CID 107326726
3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111021
4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 106773819
4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773841
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
4-bromo-3-(3-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 43429186
4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541753
4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
CID 54888902
4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773826
2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773806

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The IUPAC name of 3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (CID 106773824) is 3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.
What is the SMILES notation for 3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The canonical SMILES for 3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is C[C@@H]1COCCN1S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The InChIKey is BCBJCVIHIYTAHP-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14Br2N2O3S/c1-7-6-18-3-2-15(7)19(16,17)11-9(12)4-8(14)5-10(11)13/h4-5,7H,2-3,6,14H2,1H3/t7-/m1/s1.
What are the key properties of 3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline has a molecular weight of 414.12 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is sourced from PubChem (CID 106773824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).