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

C21H18N4O3S — CID 60610861

IUPAC4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide
SMILESNS(=O)(=O)Cc1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1
InChIInChI=1S/C21H18N4O3S/c22-29(27,28)13-15-4-3-5-17(12-15)24-21(26)16-8-10-18(11-9-16)25-14-23-19-6-1-2-7-20(19)25/h1-12,14H,13H2,(H,24,26)(H2,22,27,28)
InChIKeyNQVVYYRAPUMZJZ-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.07
Rot. Bonds5

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

4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide (PubChem CID 60610861) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide
PubChem CID60610861
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide
SMILESNS(=O)(=O)Cc1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1
InChIInChI=1S/C21H18N4O3S/c22-29(27,28)13-15-4-3-5-17(12-15)24-21(26)16-8-10-18(11-9-16)25-14-23-19-6-1-2-7-20(19)25/h1-12,14H,13H2,(H,24,26)(H2,22,27,28)
InChIKeyNQVVYYRAPUMZJZ-UHFFFAOYSA-N
XLogP3.07
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide (CID 60610861) is 4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide is NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide?
The InChIKey is NQVVYYRAPUMZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c22-29(27,28)13-15-4-3-5-17(12-15)24-21(26)16-8-10-18(11-9-16)25-14-23-19-6-1-2-7-20(19)25/h1-12,14H,13H2,(H,24,26)(H2,22,27,28).
What are the key properties of 4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide?
4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide has a molecular weight of 406.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide is sourced from PubChem (CID 60610861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).