2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline

C12H16Cl2N2O3S — CID 104957703

IUPAC2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(N)c2Cl)C[C@H](C)O1
InChIInChI=1S/C12H16Cl2N2O3S/c1-7-5-16(6-8(2)19-7)20(17,18)10-4-3-9(13)12(15)11(10)14/h3-4,7-8H,5-6,15H2,1-2H3/t7-,8+
InChIKeyVPUWJGVZJWBKRH-OCAPTIKFSA-N
MW339.24 g/mol
LogP2.37
Rot. Bonds2

About 2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline

2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline (PubChem CID 104957703) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline.

Molecular Properties

Compound Name2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline
PubChem CID104957703
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(N)c2Cl)C[C@H](C)O1
InChIInChI=1S/C12H16Cl2N2O3S/c1-7-5-16(6-8(2)19-7)20(17,18)10-4-3-9(13)12(15)11(10)14/h3-4,7-8H,5-6,15H2,1-2H3/t7-,8+
InChIKeyVPUWJGVZJWBKRH-OCAPTIKFSA-N
XLogP2.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.37
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

4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 50876448
3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline
CID 43257069
1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol
CID 107212732
2-(bromomethyl)-4-(2,4-dichloro-3-fluorophenyl)sulfonyl-6-methylmorpholine
CID 103089906
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 3851171
(3S,5S)-3,5-dimethyl-1-(2,3,4-trichlorophenyl)sulfonylpiperidine
CID 124680623
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412227
4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412224
(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine
CID 7177601
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
[4-(4-amino-2-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931874

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline?
The IUPAC name of 2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline (CID 104957703) is 2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline.
What is the SMILES notation for 2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline?
The canonical SMILES for 2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline is C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(N)c2Cl)C[C@H](C)O1.
What is the InChIKey of 2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline?
The InChIKey is VPUWJGVZJWBKRH-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-7-5-16(6-8(2)19-7)20(17,18)10-4-3-9(13)12(15)11(10)14/h3-4,7-8H,5-6,15H2,1-2H3/t7-,8+.
What are the key properties of 2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline?
2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline has a molecular weight of 339.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline is sourced from PubChem (CID 104957703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).