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

C19H19N5O5S2 — CID 4671821

IUPAC4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C19H19N5O5S2/c1-24(2)31(28,29)17-8-4-14(5-9-17)18(25)22-15-6-10-16(11-7-15)30(26,27)23-19-20-12-3-13-21-19/h3-13H,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyJWFLFIWMJMDLSK-UHFFFAOYSA-N
MW461.53 g/mol
LogP1.78
Rot. Bonds7

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

4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 4671821) has the molecular formula C19H19N5O5S2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID4671821
Molecular FormulaC19H19N5O5S2
Molecular Weight461.53 g/mol
Exact Mass461.08
IUPAC Name4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C19H19N5O5S2/c1-24(2)31(28,29)17-8-4-14(5-9-17)18(25)22-15-6-10-16(11-7-15)30(26,27)23-19-20-12-3-13-21-19/h3-13H,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyJWFLFIWMJMDLSK-UHFFFAOYSA-N
XLogP1.78
TPSA138.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide
CID 2121261
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1164335
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-3-carboxamide
CID 674488
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 4671821) is 4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is JWFLFIWMJMDLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5S2/c1-24(2)31(28,29)17-8-4-14(5-9-17)18(25)22-15-6-10-16(11-7-15)30(26,27)23-19-20-12-3-13-21-19/h3-13H,1-2H3,(H,22,25)(H,20,21,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 461.53 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4671821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).