2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide

C18H19ClN2O5S — CID 1356335

IUPAC2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C18H19ClN2O5S/c1-25-17-5-3-2-4-16(17)20-18(22)14-12-13(6-7-15(14)19)27(23,24)21-8-10-26-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyZPRIYLRHXVBVRI-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.62
Rot. Bonds5

About 2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide

2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 1356335) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID1356335
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C18H19ClN2O5S/c1-25-17-5-3-2-4-16(17)20-18(22)14-12-13(6-7-15(14)19)27(23,24)21-8-10-26-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyZPRIYLRHXVBVRI-UHFFFAOYSA-N
XLogP2.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide (CID 1356335) is 2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide is COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZPRIYLRHXVBVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-25-17-5-3-2-4-16(17)20-18(22)14-12-13(6-7-15(14)19)27(23,24)21-8-10-26-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 410.88 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1356335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).