2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide

C16H12Cl2N4O4S2 — CID 1320416

IUPAC2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H12Cl2N4O4S2/c17-11-2-7-14(18)15(10-11)28(25,26)21-12-3-5-13(6-4-12)27(23,24)22-16-19-8-1-9-20-16/h1-10,21H,(H,19,20,22)
InChIKeyDJLQCJPVCKJNMS-UHFFFAOYSA-N
MW459.34 g/mol
LogP3.38
Rot. Bonds6

About 2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide

2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 1320416) has the molecular formula C16H12Cl2N4O4S2 and a molecular weight of 459.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID1320416
Molecular FormulaC16H12Cl2N4O4S2
Molecular Weight459.34 g/mol
Exact Mass457.97
IUPAC Name2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H12Cl2N4O4S2/c17-11-2-7-14(18)15(10-11)28(25,26)21-12-3-5-13(6-4-12)27(23,24)22-16-19-8-1-9-20-16/h1-10,21H,(H,19,20,22)
InChIKeyDJLQCJPVCKJNMS-UHFFFAOYSA-N
XLogP3.38
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide (CID 1320416) is 2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ncccn1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is DJLQCJPVCKJNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O4S2/c17-11-2-7-14(18)15(10-11)28(25,26)21-12-3-5-13(6-4-12)27(23,24)22-16-19-8-1-9-20-16/h1-10,21H,(H,19,20,22).
What are the key properties of 2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 459.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1320416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).