5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide

C16H15FN4O4S — CID 130406172

IUPAC5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
SMILESCCc1nc2c(F)c(NS(=O)(=O)c3ccc(O)c(C(N)=O)c3)ccc2[nH]1
InChIInChI=1S/C16H15FN4O4S/c1-2-13-19-11-5-4-10(14(17)15(11)20-13)21-26(24,25)8-3-6-12(22)9(7-8)16(18)23/h3-7,21-22H,2H2,1H3,(H2,18,23)(H,19,20)
InChIKeyMXYYCHXVGCSAIC-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.87
Rot. Bonds5

About 5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide

5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide (PubChem CID 130406172) has the molecular formula C16H15FN4O4S and a molecular weight of 378.39 g/mol. Its IUPAC name is 5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
PubChem CID130406172
Molecular FormulaC16H15FN4O4S
Molecular Weight378.39 g/mol
Exact Mass378.08
IUPAC Name5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
SMILESCCc1nc2c(F)c(NS(=O)(=O)c3ccc(O)c(C(N)=O)c3)ccc2[nH]1
InChIInChI=1S/C16H15FN4O4S/c1-2-13-19-11-5-4-10(14(17)15(11)20-13)21-26(24,25)8-3-6-12(22)9(7-8)16(18)23/h3-7,21-22H,2H2,1H3,(H2,18,23)(H,19,20)
InChIKeyMXYYCHXVGCSAIC-UHFFFAOYSA-N
XLogP1.87
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide?
The IUPAC name of 5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide (CID 130406172) is 5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide?
The canonical SMILES for 5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide is CCc1nc2c(F)c(NS(=O)(=O)c3ccc(O)c(C(N)=O)c3)ccc2[nH]1.
What is the InChIKey of 5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide?
The InChIKey is MXYYCHXVGCSAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O4S/c1-2-13-19-11-5-4-10(14(17)15(11)20-13)21-26(24,25)8-3-6-12(22)9(7-8)16(18)23/h3-7,21-22H,2H2,1H3,(H2,18,23)(H,19,20).
What are the key properties of 5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide?
5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide has a molecular weight of 378.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-4-fluoro-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide is sourced from PubChem (CID 130406172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).