[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine

C11H14Cl2N2O3S — CID 114398478

IUPAC[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1
InChIInChI=1S/C11H14Cl2N2O3S/c12-8-3-9(13)5-11(4-8)19(16,17)15-1-2-18-10(6-14)7-15/h3-5,10H,1-2,6-7,14H2
InChIKeyGTKOFGCEQWGRBE-UHFFFAOYSA-N
MW325.22 g/mol
LogP1.34
Rot. Bonds3

About [4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine

[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine (PubChem CID 114398478) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is [4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
PubChem CID114398478
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC Name[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1
InChIInChI=1S/C11H14Cl2N2O3S/c12-8-3-9(13)5-11(4-8)19(16,17)15-1-2-18-10(6-14)7-15/h3-5,10H,1-2,6-7,14H2
InChIKeyGTKOFGCEQWGRBE-UHFFFAOYSA-N
XLogP1.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-4-(4-chlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252815
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398495
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398346
[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
CID 120712882
[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398416
2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433238
[4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine
CID 122556734
[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 61339337
4-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylmorpholine-2-carboxylic acid
CID 136547114
2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine
CID 81212002

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine (CID 114398478) is [4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine is NCC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1.
What is the InChIKey of [4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine?
The InChIKey is GTKOFGCEQWGRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c12-8-3-9(13)5-11(4-8)19(16,17)15-1-2-18-10(6-14)7-15/h3-5,10H,1-2,6-7,14H2.
What are the key properties of [4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine?
[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine has a molecular weight of 325.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine is sourced from PubChem (CID 114398478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).