2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide

C19H23N3O6S — CID 2354299

IUPAC2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN2CCOCC2)cc1OC
InChIInChI=1S/C19H23N3O6S/c1-26-17-8-7-14(13-18(17)27-2)29(24,25)21-16-6-4-3-5-15(16)19(23)20-22-9-11-28-12-10-22/h3-8,13,21H,9-12H2,1-2H3,(H,20,23)
InChIKeyLFAZRPLFWJUDBS-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.48
Rot. Bonds7

About 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide

2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide (PubChem CID 2354299) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide
PubChem CID2354299
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN2CCOCC2)cc1OC
InChIInChI=1S/C19H23N3O6S/c1-26-17-8-7-14(13-18(17)27-2)29(24,25)21-16-6-4-3-5-15(16)19(23)20-22-9-11-28-12-10-22/h3-8,13,21H,9-12H2,1-2H3,(H,20,23)
InChIKeyLFAZRPLFWJUDBS-UHFFFAOYSA-N
XLogP1.48
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide (CID 2354299) is 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN2CCOCC2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide?
The InChIKey is LFAZRPLFWJUDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-26-17-8-7-14(13-18(17)27-2)29(24,25)21-16-6-4-3-5-15(16)19(23)20-22-9-11-28-12-10-22/h3-8,13,21H,9-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide?
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide has a molecular weight of 421.48 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 2354299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).