N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide

C19H22N2O6S — CID 1152893

IUPACN-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H22N2O6S/c1-25-15-5-8-18(26-2)17(13-15)20-19(22)14-3-6-16(7-4-14)28(23,24)21-9-11-27-12-10-21/h3-8,13H,9-12H2,1-2H3,(H,20,22)
InChIKeyWXHAEXWSQKNKKL-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.98
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide

N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 1152893) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID1152893
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC NameN-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H22N2O6S/c1-25-15-5-8-18(26-2)17(13-15)20-19(22)14-3-6-16(7-4-14)28(23,24)21-9-11-27-12-10-21/h3-8,13H,9-12H2,1-2H3,(H,20,22)
InChIKeyWXHAEXWSQKNKKL-UHFFFAOYSA-N
XLogP1.98
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide (CID 1152893) is N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide is COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WXHAEXWSQKNKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-25-15-5-8-18(26-2)17(13-15)20-19(22)14-3-6-16(7-4-14)28(23,24)21-9-11-27-12-10-21/h3-8,13H,9-12H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 406.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1152893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).