4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide

C19H18N4O3S — CID 4071049

IUPAC4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(c2ccccn2)c2ccccn2)cc1
InChIInChI=1S/C19H18N4O3S/c1-22(2)27(25,26)16-11-9-15(10-12-16)19(24)23(17-7-3-5-13-20-17)18-8-4-6-14-21-18/h3-14H,1-2H3
InChIKeyBHBLYURTSZLAQA-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.71
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide

4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide (PubChem CID 4071049) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide
PubChem CID4071049
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(c2ccccn2)c2ccccn2)cc1
InChIInChI=1S/C19H18N4O3S/c1-22(2)27(25,26)16-11-9-15(10-12-16)19(24)23(17-7-3-5-13-20-17)18-8-4-6-14-21-18/h3-14H,1-2H3
InChIKeyBHBLYURTSZLAQA-UHFFFAOYSA-N
XLogP2.71
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide (CID 4071049) is 4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide is CN(C)S(=O)(=O)c1ccc(C(=O)N(c2ccccn2)c2ccccn2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide?
The InChIKey is BHBLYURTSZLAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-22(2)27(25,26)16-11-9-15(10-12-16)19(24)23(17-7-3-5-13-20-17)18-8-4-6-14-21-18/h3-14H,1-2H3.
What are the key properties of 4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide?
4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide has a molecular weight of 382.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N,N-dipyridin-2-ylbenzamide is sourced from PubChem (CID 4071049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).