2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

C15H20Cl2N2O4S — CID 6554374

IUPAC2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H](C)O1
InChIInChI=1S/C15H20Cl2N2O4S/c1-10-7-19(8-11(2)23-10)15(20)9-18(3)24(21,22)14-6-12(16)4-5-13(14)17/h4-6,10-11H,7-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyXOFMNIWCZPDSHK-GHMZBOCLSA-N
MW395.31 g/mol
LogP2.25
Rot. Bonds4

About 2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 6554374) has the molecular formula C15H20Cl2N2O4S and a molecular weight of 395.31 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID6554374
Molecular FormulaC15H20Cl2N2O4S
Molecular Weight395.31 g/mol
Exact Mass394.05
IUPAC Name2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H](C)O1
InChIInChI=1S/C15H20Cl2N2O4S/c1-10-7-19(8-11(2)23-10)15(20)9-18(3)24(21,22)14-6-12(16)4-5-13(14)17/h4-6,10-11H,7-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyXOFMNIWCZPDSHK-GHMZBOCLSA-N
XLogP2.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (CID 6554374) is 2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H](C)O1.
What is the InChIKey of 2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is XOFMNIWCZPDSHK-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4S/c1-10-7-19(8-11(2)23-10)15(20)9-18(3)24(21,22)14-6-12(16)4-5-13(14)17/h4-6,10-11H,7-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of 2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 395.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 6554374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).