[4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide

C24H20BrN4O5S- — CID 4748328

About [4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide

[4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide (PubChem CID 4748328) has the molecular formula C24H20BrN4O5S- and a molecular weight of 556.42 g/mol. Its IUPAC name is [4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide.

Molecular Properties

• Compound Name: [4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
• PubChem CID: 4748328
• Molecular Formula: C24H20BrN4O5S-
• Molecular Weight: 556.42 g/mol
• Exact Mass: 555.03
• IUPAC Name: [4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
• SMILES: Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(COc4ccc(Br)cc4)o3)cc2)n1
• InChI: InChI=1S/C24H21BrN4O5S/c1-15-13-16(2)27-24(26-15)29-35(31,32)21-10-5-18(6-11-21)28-23(30)22-12-9-20(34-22)14-33-19-7-3-17(25)4-8-19/h3-13H,14H2,1-2H3,(H2,26,27,28,29,30)/p-1
• InChIKey: WOUBRXIQMLZOSG-UHFFFAOYSA-M
• XLogP: 5.67
• TPSA: 125.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.42
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide?

The IUPAC name of [4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide (CID 4748328) is [4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide.

What is the SMILES notation for [4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide?

The canonical SMILES for [4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide is Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(COc4ccc(Br)cc4)o3)cc2)n1.

What is the InChIKey of [4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide?

The InChIKey is WOUBRXIQMLZOSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H21BrN4O5S/c1-15-13-16(2)27-24(26-15)29-35(31,32)21-10-5-18(6-11-21)28-23(30)22-12-9-20(34-22)14-33-19-7-3-17(25)4-8-19/h3-13H,14H2,1-2H3,(H2,26,27,28,29,30)/p-1.

What are the key properties of [4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide?

[4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide has a molecular weight of 556.42 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide is sourced from PubChem (CID 4748328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).