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

C22H19FN4O4S — CID 24687441

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C22H19FN4O4S/c1-27(13-14-3-2-4-16(23)11-14)21(28)15-5-7-17(8-6-15)26-32(30,31)18-9-10-19-20(12-18)25-22(29)24-19/h2-12,26H,13H2,1H3,(H2,24,25,29)
InChIKeyQYYUUOIRHQPBKD-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.07
Rot. Bonds6

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

N-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 24687441) has the molecular formula C22H19FN4O4S and a molecular weight of 454.48 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID24687441
Molecular FormulaC22H19FN4O4S
Molecular Weight454.48 g/mol
Exact Mass454.11
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C22H19FN4O4S/c1-27(13-14-3-2-4-16(23)11-14)21(28)15-5-7-17(8-6-15)26-32(30,31)18-9-10-19-20(12-18)25-22(29)24-19/h2-12,26H,13H2,1H3,(H2,24,25,29)
InChIKeyQYYUUOIRHQPBKD-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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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4875218
N-ethyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24670610
DW-2282 free base
CID 9870546
DW-2143 free base
CID 9935663
4-[[6-[(4-fluorobenzoyl)amino]-1,1,3-trioxo-1,2-benzothiazol-2-yl]methyl]-N-hydroxybenzamide
CID 122186723
1-(4-Acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea
CID 2209389
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 2511795
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 6461555
4-(Allyl-methanesulfonyl-amino)-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-benzamide
CID 6492933
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-fluorobenzamide
CID 15945308
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 16291736
Methyl 2-[[4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]phenyl]carbonylamino]-3-phenyl-propanoate
CID 16298180

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 24687441) is N-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is CN(Cc1cccc(F)c1)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is QYYUUOIRHQPBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4S/c1-27(13-14-3-2-4-16(23)11-14)21(28)15-5-7-17(8-6-15)26-32(30,31)18-9-10-19-20(12-18)25-22(29)24-19/h2-12,26H,13H2,1H3,(H2,24,25,29).
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-[(3-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-[(3-fluorophenyl)methyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 24687441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).