2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C20H29Cl2N3O4S — CID 4772089

IUPAC2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC(C)(C)N1
InChIInChI=1S/C20H29Cl2N3O4S/c1-19(2)11-13(12-20(3,4)24-19)23-18(26)14-9-17(16(22)10-15(14)21)30(27,28)25-5-7-29-8-6-25/h9-10,13,24H,5-8,11-12H2,1-4H3,(H,23,26)
InChIKeyXLUSLBYTUTVOLS-UHFFFAOYSA-N
MW478.44 g/mol
LogP3.05
Rot. Bonds4

About 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 4772089) has the molecular formula C20H29Cl2N3O4S and a molecular weight of 478.44 g/mol. Its IUPAC name is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID4772089
Molecular FormulaC20H29Cl2N3O4S
Molecular Weight478.44 g/mol
Exact Mass477.13
IUPAC Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC(C)(C)N1
InChIInChI=1S/C20H29Cl2N3O4S/c1-19(2)11-13(12-20(3,4)24-19)23-18(26)14-9-17(16(22)10-15(14)21)30(27,28)25-5-7-29-8-6-25/h9-10,13,24H,5-8,11-12H2,1-4H3,(H,23,26)
InChIKeyXLUSLBYTUTVOLS-UHFFFAOYSA-N
XLogP3.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide 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 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 4772089) is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC(C)(C)N1.
What is the InChIKey of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is XLUSLBYTUTVOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29Cl2N3O4S/c1-19(2)11-13(12-20(3,4)24-19)23-18(26)14-9-17(16(22)10-15(14)21)30(27,28)25-5-7-29-8-6-25/h9-10,13,24H,5-8,11-12H2,1-4H3,(H,23,26).
What are the key properties of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 478.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 4772089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).