N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C23H20N4O3S — CID 2088506

IUPACN-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H20N4O3S/c1-2-15-27(18-10-4-3-5-11-18)31(29,30)19-12-8-9-17(16-19)22(28)26-23-24-20-13-6-7-14-21(20)25-23/h2-14,16H,1,15H2,(H2,24,25,26,28)
InChIKeyGCKKMKDOAFFCMR-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.20
Rot. Bonds7

About N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 2088506) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID2088506
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H20N4O3S/c1-2-15-27(18-10-4-3-5-11-18)31(29,30)19-12-8-9-17(16-19)22(28)26-23-24-20-13-6-7-14-21(20)25-23/h2-14,16H,1,15H2,(H2,24,25,26,28)
InChIKeyGCKKMKDOAFFCMR-UHFFFAOYSA-N
XLogP4.20
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 2088506) is N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is GCKKMKDOAFFCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-2-15-27(18-10-4-3-5-11-18)31(29,30)19-12-8-9-17(16-19)22(28)26-23-24-20-13-6-7-14-21(20)25-23/h2-14,16H,1,15H2,(H2,24,25,26,28).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 432.51 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 2088506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).