4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide

C21H19N5O6S2 — CID 24983098

IUPAC4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1
InChIInChI=1S/C21H19N5O6S2/c22-33(29,30)16-7-1-13(2-8-16)12-23-20(27)14-3-5-15(6-4-14)26-34(31,32)17-9-10-18-19(11-17)25-21(28)24-18/h1-11,26H,12H2,(H,23,27)(H2,22,29,30)(H2,24,25,28)
InChIKeyJHTZWSJRHVXPBF-UHFFFAOYSA-N
MW501.55 g/mol
LogP1.23
Rot. Bonds7

About 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide

4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 24983098) has the molecular formula C21H19N5O6S2 and a molecular weight of 501.55 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID24983098
Molecular FormulaC21H19N5O6S2
Molecular Weight501.55 g/mol
Exact Mass501.08
IUPAC Name4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1
InChIInChI=1S/C21H19N5O6S2/c22-33(29,30)16-7-1-13(2-8-16)12-23-20(27)14-3-5-15(6-4-14)26-34(31,32)17-9-10-18-19(11-17)25-21(28)24-18/h1-11,26H,12H2,(H,23,27)(H2,22,29,30)(H2,24,25,28)
InChIKeyJHTZWSJRHVXPBF-UHFFFAOYSA-N
XLogP1.23
TPSA184.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.55
LogP ≤ 51.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 154835051
N-[(3-chlorophenyl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 46532012
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 154837119
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 24981727
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24687539
N-(4-bromophenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 37165193
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25350812
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 24818331
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
CID 110766627
N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 25374262
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-5-carboxamide
CID 18447408

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 24983098) is 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1.
What is the InChIKey of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is JHTZWSJRHVXPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O6S2/c22-33(29,30)16-7-1-13(2-8-16)12-23-20(27)14-3-5-15(6-4-14)26-34(31,32)17-9-10-18-19(11-17)25-21(28)24-18/h1-11,26H,12H2,(H,23,27)(H2,22,29,30)(H2,24,25,28).
What are the key properties of 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide?
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 501.55 g/mol, XLogP of 1.23, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 24983098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).