2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide

C20H22F2N4O3S — CID 86935839

IUPAC2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCc2nc3c(F)cccc3n2C)c1
InChIInChI=1S/C20H22F2N4O3S/c1-12(2)25-30(28,29)13-7-8-15(21)14(11-13)20(27)23-10-9-18-24-19-16(22)5-4-6-17(19)26(18)3/h4-8,11-12,25H,9-10H2,1-3H3,(H,23,27)
InChIKeyQLXDVGCICIAVGM-UHFFFAOYSA-N
MW436.48 g/mol
LogP2.51
Rot. Bonds7

About 2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide

2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 86935839) has the molecular formula C20H22F2N4O3S and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID86935839
Molecular FormulaC20H22F2N4O3S
Molecular Weight436.48 g/mol
Exact Mass436.14
IUPAC Name2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCc2nc3c(F)cccc3n2C)c1
InChIInChI=1S/C20H22F2N4O3S/c1-12(2)25-30(28,29)13-7-8-15(21)14(11-13)20(27)23-10-9-18-24-19-16(22)5-4-6-17(19)26(18)3/h4-8,11-12,25H,9-10H2,1-3H3,(H,23,27)
InChIKeyQLXDVGCICIAVGM-UHFFFAOYSA-N
XLogP2.51
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide (CID 86935839) is 2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCc2nc3c(F)cccc3n2C)c1.
What is the InChIKey of 2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is QLXDVGCICIAVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O3S/c1-12(2)25-30(28,29)13-7-8-15(21)14(11-13)20(27)23-10-9-18-24-19-16(22)5-4-6-17(19)26(18)3/h4-8,11-12,25H,9-10H2,1-3H3,(H,23,27).
What are the key properties of 2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide?
2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 436.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 86935839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).