4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide

C19H16ClN5O4S — CID 2471346

IUPAC4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H16ClN5O4S/c20-14-4-2-13(3-5-14)18(27)23-12-17(26)24-15-6-8-16(9-7-15)30(28,29)25-19-21-10-1-11-22-19/h1-11H,12H2,(H,23,27)(H,24,26)(H,21,22,25)
InChIKeyMZPJLXYKXAIYEU-UHFFFAOYSA-N
MW445.89 g/mol
LogP2.30
Rot. Bonds7

About 4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide

4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide (PubChem CID 2471346) has the molecular formula C19H16ClN5O4S and a molecular weight of 445.89 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide
PubChem CID2471346
Molecular FormulaC19H16ClN5O4S
Molecular Weight445.89 g/mol
Exact Mass445.06
IUPAC Name4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H16ClN5O4S/c20-14-4-2-13(3-5-14)18(27)23-12-17(26)24-15-6-8-16(9-7-15)30(28,29)25-19-21-10-1-11-22-19/h1-11H,12H2,(H,23,27)(H,24,26)(H,21,22,25)
InChIKeyMZPJLXYKXAIYEU-UHFFFAOYSA-N
XLogP2.30
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.89
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide (CID 2471346) is 4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide?
The InChIKey is MZPJLXYKXAIYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O4S/c20-14-4-2-13(3-5-14)18(27)23-12-17(26)24-15-6-8-16(9-7-15)30(28,29)25-19-21-10-1-11-22-19/h1-11H,12H2,(H,23,27)(H,24,26)(H,21,22,25).
What are the key properties of 4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide?
4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide has a molecular weight of 445.89 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl]benzamide is sourced from PubChem (CID 2471346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).