4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

C21H24Cl2N2O6S — CID 16551113

IUPAC4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)cc1Cl
InChIInChI=1S/C21H24Cl2N2O6S/c1-12-10-25(11-13(2)31-12)32(27,28)20-7-14(5-6-15(20)22)21(26)24-17-8-16(23)18(29-3)9-19(17)30-4/h5-9,12-13H,10-11H2,1-4H3,(H,24,26)
InChIKeyLOXHZKHQYAQTLY-UHFFFAOYSA-N
MW503.40 g/mol
LogP4.06
Rot. Bonds6

About 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 16551113) has the molecular formula C21H24Cl2N2O6S and a molecular weight of 503.40 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID16551113
Molecular FormulaC21H24Cl2N2O6S
Molecular Weight503.40 g/mol
Exact Mass502.07
IUPAC Name4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)cc1Cl
InChIInChI=1S/C21H24Cl2N2O6S/c1-12-10-25(11-13(2)31-12)32(27,28)20-7-14(5-6-15(20)22)21(26)24-17-8-16(23)18(29-3)9-19(17)30-4/h5-9,12-13H,10-11H2,1-4H3,(H,24,26)
InChIKeyLOXHZKHQYAQTLY-UHFFFAOYSA-N
XLogP4.06
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 26620619
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide
CID 41306963
4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 43009398
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 24640372
4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55796488
N-(3-acetamidophenyl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55335559
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-fluoro-5-nitrophenyl)benzamide
CID 55348490
methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
CID 55811789
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 16545821
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 3851171
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide
CID 18273667

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 16551113) is 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is COc1cc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)cc1Cl.
What is the InChIKey of 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is LOXHZKHQYAQTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O6S/c1-12-10-25(11-13(2)31-12)32(27,28)20-7-14(5-6-15(20)22)21(26)24-17-8-16(23)18(29-3)9-19(17)30-4/h5-9,12-13H,10-11H2,1-4H3,(H,24,26).
What are the key properties of 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 503.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 16551113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).