5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide

C26H16BrCl3N2O4S — CID 6456062

IUPAC5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H16BrCl3N2O4S/c27-16-3-11-24(32-37(35,36)20-9-6-18(29)7-10-20)22(13-16)26(34)31-23-12-8-19(30)14-21(23)25(33)15-1-4-17(28)5-2-15/h1-14,32H,(H,31,34)
InChIKeyVZBNEMUDYUJRTO-UHFFFAOYSA-N
MW638.75 g/mol
LogP7.69
Rot. Bonds7

About 5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide

5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide (PubChem CID 6456062) has the molecular formula C26H16BrCl3N2O4S and a molecular weight of 638.75 g/mol. Its IUPAC name is 5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
PubChem CID6456062
Molecular FormulaC26H16BrCl3N2O4S
Molecular Weight638.75 g/mol
Exact Mass635.91
IUPAC Name5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H16BrCl3N2O4S/c27-16-3-11-24(32-37(35,36)20-9-6-18(29)7-10-20)22(13-16)26(34)31-23-12-8-19(30)14-21(23)25(33)15-1-4-17(28)5-2-15/h1-14,32H,(H,31,34)
InChIKeyVZBNEMUDYUJRTO-UHFFFAOYSA-N
XLogP7.69
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.75
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of 5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide (CID 6456062) is 5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for 5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide is O=C(Nc1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is VZBNEMUDYUJRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16BrCl3N2O4S/c27-16-3-11-24(32-37(35,36)20-9-6-18(29)7-10-20)22(13-16)26(34)31-23-12-8-19(30)14-21(23)25(33)15-1-4-17(28)5-2-15/h1-14,32H,(H,31,34).
What are the key properties of 5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide has a molecular weight of 638.75 g/mol, XLogP of 7.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-chloro-2-(4-chlorobenzoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 6456062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).