4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide

C22H20N4O3S — CID 17426076

IUPAC4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1
InChIInChI=1S/C22H20N4O3S/c1-25(2)30(28,29)19-7-5-6-17(14-19)24-22(27)16-10-12-18(13-11-16)26-15-23-20-8-3-4-9-21(20)26/h3-15H,1-2H3,(H,24,27)
InChIKeyHWNJIVRTUPSCTH-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.53
Rot. Bonds5

About 4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide

4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide (PubChem CID 17426076) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
PubChem CID17426076
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1
InChIInChI=1S/C22H20N4O3S/c1-25(2)30(28,29)19-7-5-6-17(14-19)24-22(27)16-10-12-18(13-11-16)26-15-23-20-8-3-4-9-21(20)26/h3-15H,1-2H3,(H,24,27)
InChIKeyHWNJIVRTUPSCTH-UHFFFAOYSA-N
XLogP3.53
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide (CID 17426076) is 4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
The InChIKey is HWNJIVRTUPSCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-25(2)30(28,29)19-7-5-6-17(14-19)24-22(27)16-10-12-18(13-11-16)26-15-23-20-8-3-4-9-21(20)26/h3-15H,1-2H3,(H,24,27).
What are the key properties of 4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 17426076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).