3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C17H17BrN2O4S — CID 1311566

IUPAC3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O4S/c18-14-3-1-2-13(12-14)17(21)19-15-4-6-16(7-5-15)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)
InChIKeyJBBBBIJDMFMZIY-UHFFFAOYSA-N
MW425.30 g/mol
LogP2.72
Rot. Bonds4

About 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 1311566) has the molecular formula C17H17BrN2O4S and a molecular weight of 425.30 g/mol. Its IUPAC name is 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID1311566
Molecular FormulaC17H17BrN2O4S
Molecular Weight425.30 g/mol
Exact Mass424.01
IUPAC Name3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O4S/c18-14-3-1-2-13(12-14)17(21)19-15-4-6-16(7-5-15)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)
InChIKeyJBBBBIJDMFMZIY-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 1311566) is 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is JBBBBIJDMFMZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4S/c18-14-3-1-2-13(12-14)17(21)19-15-4-6-16(7-5-15)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21).
What are the key properties of 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 425.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1311566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).