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

C23H29ClN2O6S — CID 43009398

IUPAC4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)cc1OCC
InChIInChI=1S/C23H29ClN2O6S/c1-5-30-20-10-8-18(12-21(20)31-6-2)25-23(27)17-7-9-19(24)22(11-17)33(28,29)26-13-15(3)32-16(4)14-26/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,25,27)
InChIKeyPTZRJDBAWAOIIS-UHFFFAOYSA-N
MW497.01 g/mol
LogP4.19
Rot. Bonds8

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

4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 43009398) has the molecular formula C23H29ClN2O6S and a molecular weight of 497.01 g/mol. Its IUPAC name is 4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID43009398
Molecular FormulaC23H29ClN2O6S
Molecular Weight497.01 g/mol
Exact Mass496.14
IUPAC Name4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)cc1OCC
InChIInChI=1S/C23H29ClN2O6S/c1-5-30-20-10-8-18(12-21(20)31-6-2)25-23(27)17-7-9-19(24)22(11-17)33(28,29)26-13-15(3)32-16(4)14-26/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,25,27)
InChIKeyPTZRJDBAWAOIIS-UHFFFAOYSA-N
XLogP4.19
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.01
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55796488
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-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41319699
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide
CID 41306963
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 16551113
3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 38207231
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
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412227
4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of 4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 43009398) is 4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC(C)OC(C)C3)c2)cc1OCC.
What is the InChIKey of 4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is PTZRJDBAWAOIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O6S/c1-5-30-20-10-8-18(12-21(20)31-6-2)25-23(27)17-7-9-19(24)22(11-17)33(28,29)26-13-15(3)32-16(4)14-26/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,25,27).
What are the key properties of 4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 497.01 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 43009398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).