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

C22H19FN4O4S — CID 24688083

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCN(Cc1ccccc1F)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C22H19FN4O4S/c1-27(13-15-4-2-3-5-18(15)23)21(28)14-6-8-16(9-7-14)26-32(30,31)17-10-11-19-20(12-17)25-22(29)24-19/h2-12,26H,13H2,1H3,(H2,24,25,29)
InChIKeyAOTKBIUVQLKLCS-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.07
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 24688083) has the molecular formula C22H19FN4O4S and a molecular weight of 454.48 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID24688083
Molecular FormulaC22H19FN4O4S
Molecular Weight454.48 g/mol
Exact Mass454.11
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCN(Cc1ccccc1F)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C22H19FN4O4S/c1-27(13-15-4-2-3-5-18(15)23)21(28)14-6-8-16(9-7-14)26-32(30,31)17-10-11-19-20(12-17)25-22(29)24-19/h2-12,26H,13H2,1H3,(H2,24,25,29)
InChIKeyAOTKBIUVQLKLCS-UHFFFAOYSA-N
XLogP3.07
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 24688083) is N-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is CN(Cc1ccccc1F)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is AOTKBIUVQLKLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4S/c1-27(13-15-4-2-3-5-18(15)23)21(28)14-6-8-16(9-7-14)26-32(30,31)17-10-11-19-20(12-17)25-22(29)24-19/h2-12,26H,13H2,1H3,(H2,24,25,29).
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 454.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 24688083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).