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

C22H19FN4O4S — CID 24978898

IUPACN-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C22H19FN4O4S/c23-16-5-1-14(2-6-16)11-12-24-21(28)15-3-7-17(8-4-15)27-32(30,31)18-9-10-19-20(13-18)26-22(29)25-19/h1-10,13,27H,11-12H2,(H,24,28)(H2,25,26,29)
InChIKeyKLBXNXGKZAIQRY-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.77
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 24978898) has the molecular formula C22H19FN4O4S and a molecular weight of 454.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
PubChem CID24978898
Molecular FormulaC22H19FN4O4S
Molecular Weight454.48 g/mol
Exact Mass454.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C22H19FN4O4S/c23-16-5-1-14(2-6-16)11-12-24-21(28)15-3-7-17(8-4-15)27-32(30,31)18-9-10-19-20(13-18)26-22(29)25-19/h1-10,13,27H,11-12H2,(H,24,28)(H2,25,26,29)
InChIKeyKLBXNXGKZAIQRY-UHFFFAOYSA-N
XLogP2.77
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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-phenyl-1-(N-benzoylindoline-5-sulfonyl)-4,5-dihydro-2-imidazolone
CID 21224938
4-[[6-[(4-fluorobenzoyl)amino]-1,1,3-trioxo-1,2-benzothiazol-2-yl]methyl]-N-hydroxybenzamide
CID 122186723
N-hydroxy-4-[[1,1,3-trioxo-6-[(2-phenylacetyl)amino]-1,2-benzothiazol-2-yl]methyl]benzamide
CID 122186724
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-[(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
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 16298295
N-(4-methylcyclohexyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 17571225

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 24978898) is N-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is O=C(NCCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
The InChIKey is KLBXNXGKZAIQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4S/c23-16-5-1-14(2-6-16)11-12-24-21(28)15-3-7-17(8-4-15)27-32(30,31)18-9-10-19-20(13-18)26-22(29)25-19/h1-10,13,27H,11-12H2,(H,24,28)(H2,25,26,29).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?
N-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 454.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 24978898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).