4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide

C18H19BrN2O5S — CID 1356215

IUPAC4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H19BrN2O5S/c1-25-15-5-3-14(4-6-15)20-18(22)13-2-7-16(19)17(12-13)27(23,24)21-8-10-26-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyMSODERGDYDLVIK-UHFFFAOYSA-N
MW455.33 g/mol
LogP2.73
Rot. Bonds5

About 4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide

4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1356215) has the molecular formula C18H19BrN2O5S and a molecular weight of 455.33 g/mol. Its IUPAC name is 4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1356215
Molecular FormulaC18H19BrN2O5S
Molecular Weight455.33 g/mol
Exact Mass454.02
IUPAC Name4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H19BrN2O5S/c1-25-15-5-3-14(4-6-15)20-18(22)13-2-7-16(19)17(12-13)27(23,24)21-8-10-26-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyMSODERGDYDLVIK-UHFFFAOYSA-N
XLogP2.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1356215) is 4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MSODERGDYDLVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O5S/c1-25-15-5-3-14(4-6-15)20-18(22)13-2-7-16(19)17(12-13)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 4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 455.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1356215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).