2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

C17H13ClN4O3S — CID 1084462

IUPAC2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1Cl
InChIInChI=1S/C17H13ClN4O3S/c18-15-5-2-1-4-14(15)16(23)21-12-6-8-13(9-7-12)26(24,25)22-17-19-10-3-11-20-17/h1-11H,(H,21,23)(H,19,20,22)
InChIKeyIBZCORCVLVIEFC-UHFFFAOYSA-N
MW388.84 g/mol
LogP3.18
Rot. Bonds5

About 2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1084462) has the molecular formula C17H13ClN4O3S and a molecular weight of 388.84 g/mol. Its IUPAC name is 2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1084462
Molecular FormulaC17H13ClN4O3S
Molecular Weight388.84 g/mol
Exact Mass388.04
IUPAC Name2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1Cl
InChIInChI=1S/C17H13ClN4O3S/c18-15-5-2-1-4-14(15)16(23)21-12-6-8-13(9-7-12)26(24,25)22-17-19-10-3-11-20-17/h1-11H,(H,21,23)(H,19,20,22)
InChIKeyIBZCORCVLVIEFC-UHFFFAOYSA-N
XLogP3.18
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.84
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 1084462) is 2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is IBZCORCVLVIEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3S/c18-15-5-2-1-4-14(15)16(23)21-12-6-8-13(9-7-12)26(24,25)22-17-19-10-3-11-20-17/h1-11H,(H,21,23)(H,19,20,22).
What are the key properties of 2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 388.84 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1084462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).