N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C21H21N5O5S2 — CID 2428332

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H21N5O5S2/c27-20(16-4-8-19(9-5-16)33(30,31)26-14-1-2-15-26)24-17-6-10-18(11-7-17)32(28,29)25-21-22-12-3-13-23-21/h3-13H,1-2,14-15H2,(H,24,27)(H,22,23,25)
InChIKeyVGIDRYMGPXPSQL-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.31
Rot. Bonds7

About N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2428332) has the molecular formula C21H21N5O5S2 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2428332
Molecular FormulaC21H21N5O5S2
Molecular Weight487.56 g/mol
Exact Mass487.10
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H21N5O5S2/c27-20(16-4-8-19(9-5-16)33(30,31)26-14-1-2-15-26)24-17-6-10-18(11-7-17)32(28,29)25-21-22-12-3-13-23-21/h3-13H,1-2,14-15H2,(H,24,27)(H,22,23,25)
InChIKeyVGIDRYMGPXPSQL-UHFFFAOYSA-N
XLogP2.31
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2428332) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VGIDRYMGPXPSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5S2/c27-20(16-4-8-19(9-5-16)33(30,31)26-14-1-2-15-26)24-17-6-10-18(11-7-17)32(28,29)25-21-22-12-3-13-23-21/h3-13H,1-2,14-15H2,(H,24,27)(H,22,23,25).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 487.56 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2428332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).