3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

C11H15BrN2O3S — CID 93111095

IUPAC3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESC[C@@H]1COCCN1S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-8-7-17-5-4-14(8)18(15,16)11-3-2-9(13)6-10(11)12/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m1/s1
InChIKeyKAWDXTGRLKSHAZ-MRVPVSSYSA-N
MW335.22 g/mol
LogP1.44
Rot. Bonds2

About 3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (PubChem CID 93111095) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.

Molecular Properties

Compound Name3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
PubChem CID93111095
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESC[C@@H]1COCCN1S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-8-7-17-5-4-14(8)18(15,16)11-3-2-9(13)6-10(11)12/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m1/s1
InChIKeyKAWDXTGRLKSHAZ-MRVPVSSYSA-N
XLogP1.44
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.44
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

3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773824
4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 106773819
4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773841
4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541753
methyl 4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoate
CID 106773732
2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 107343186
4-bromo-3-(3-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 43429186
4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
CID 54888902
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
3-bromo-4-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542810
3-bromo-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 54882786
2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773727

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The IUPAC name of 3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (CID 93111095) is 3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.
What is the SMILES notation for 3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The canonical SMILES for 3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is C[C@@H]1COCCN1S(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The InChIKey is KAWDXTGRLKSHAZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-8-7-17-5-4-14(8)18(15,16)11-3-2-9(13)6-10(11)12/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m1/s1.
What are the key properties of 3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline has a molecular weight of 335.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is sourced from PubChem (CID 93111095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).