N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide

C23H19F3N4O3S — CID 122179031

IUPACN-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2ncn(CCc3ccc(F)cc3)c12
InChIInChI=1S/C23H19F3N4O3S/c1-14(31)28-22-12-18(34(32,33)29-20-7-6-17(25)10-19(20)26)11-21-23(22)30(13-27-21)9-8-15-2-4-16(24)5-3-15/h2-7,10-13,29H,8-9H2,1H3,(H,28,31)
InChIKeyACVUXKZLPZPVAZ-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.46
Rot. Bonds7

About N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide

N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide (PubChem CID 122179031) has the molecular formula C23H19F3N4O3S and a molecular weight of 488.49 g/mol. Its IUPAC name is N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide
PubChem CID122179031
Molecular FormulaC23H19F3N4O3S
Molecular Weight488.49 g/mol
Exact Mass488.11
IUPAC NameN-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2ncn(CCc3ccc(F)cc3)c12
InChIInChI=1S/C23H19F3N4O3S/c1-14(31)28-22-12-18(34(32,33)29-20-7-6-17(25)10-19(20)26)11-21-23(22)30(13-27-21)9-8-15-2-4-16(24)5-3-15/h2-7,10-13,29H,8-9H2,1H3,(H,28,31)
InChIKeyACVUXKZLPZPVAZ-UHFFFAOYSA-N
XLogP4.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide?
The IUPAC name of N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide (CID 122179031) is N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide?
The canonical SMILES for N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide is CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2ncn(CCc3ccc(F)cc3)c12.
What is the InChIKey of N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide?
The InChIKey is ACVUXKZLPZPVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3S/c1-14(31)28-22-12-18(34(32,33)29-20-7-6-17(25)10-19(20)26)11-21-23(22)30(13-27-21)9-8-15-2-4-16(24)5-3-15/h2-7,10-13,29H,8-9H2,1H3,(H,28,31).
What are the key properties of N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide?
N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide has a molecular weight of 488.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide is sourced from PubChem (CID 122179031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).