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

C23H18FN5O5S2 — CID 2336857

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H18FN5O5S2/c24-16-6-10-18(11-7-16)35(31,32)28-21-5-2-1-4-20(21)22(30)27-17-8-12-19(13-9-17)36(33,34)29-23-25-14-3-15-26-23/h1-15,28H,(H,27,30)(H,25,26,29)
InChIKeyKVRRHSNVMRZDEX-UHFFFAOYSA-N
MW527.56 g/mol
LogP3.47
Rot. Bonds8

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

2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 2336857) has the molecular formula C23H18FN5O5S2 and a molecular weight of 527.56 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID2336857
Molecular FormulaC23H18FN5O5S2
Molecular Weight527.56 g/mol
Exact Mass527.07
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H18FN5O5S2/c24-16-6-10-18(11-7-16)35(31,32)28-21-5-2-1-4-20(21)22(30)27-17-8-12-19(13-9-17)36(33,34)29-23-25-14-3-15-26-23/h1-15,28H,(H,27,30)(H,25,26,29)
InChIKeyKVRRHSNVMRZDEX-UHFFFAOYSA-N
XLogP3.47
TPSA147.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.56
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 2336857) is 2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is KVRRHSNVMRZDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O5S2/c24-16-6-10-18(11-7-16)35(31,32)28-21-5-2-1-4-20(21)22(30)27-17-8-12-19(13-9-17)36(33,34)29-23-25-14-3-15-26-23/h1-15,28H,(H,27,30)(H,25,26,29).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 527.56 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2336857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).