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

C19H19Cl2FN2O4S — CID 55796488

IUPAC4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(F)c3)ccc2Cl)CC(C)O1
InChIInChI=1S/C19H19Cl2FN2O4S/c1-11-9-24(10-12(2)28-11)29(26,27)18-7-13(3-5-16(18)21)19(25)23-14-4-6-15(20)17(22)8-14/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)
InChIKeyPJTWIMMLGZVUQH-UHFFFAOYSA-N
MW461.34 g/mol
LogP4.18
Rot. Bonds4

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

4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 55796488) has the molecular formula C19H19Cl2FN2O4S and a molecular weight of 461.34 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID55796488
Molecular FormulaC19H19Cl2FN2O4S
Molecular Weight461.34 g/mol
Exact Mass460.04
IUPAC Name4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(F)c3)ccc2Cl)CC(C)O1
InChIInChI=1S/C19H19Cl2FN2O4S/c1-11-9-24(10-12(2)28-11)29(26,27)18-7-13(3-5-16(18)21)19(25)23-14-4-6-15(20)17(22)8-14/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)
InChIKeyPJTWIMMLGZVUQH-UHFFFAOYSA-N
XLogP4.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 24640372
N-(3-acetamidophenyl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55335559
4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 43009398
4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41319699
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-fluoro-5-nitrophenyl)benzamide
CID 55348490
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 3851171
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 16551113
4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412224
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412227
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42977391
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of 4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 55796488) is 4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(F)c3)ccc2Cl)CC(C)O1.
What is the InChIKey of 4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is PJTWIMMLGZVUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O4S/c1-11-9-24(10-12(2)28-11)29(26,27)18-7-13(3-5-16(18)21)19(25)23-14-4-6-15(20)17(22)8-14/h3-8,11-12H,9-10H2,1-2H3,(H,23,25).
What are the key properties of 4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 461.34 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 55796488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).