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

C15H13FN4O4S — CID 130406189

IUPAC5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
SMILESCc1nc2c(F)c(NS(=O)(=O)c3ccc(O)c(C(N)=O)c3)ccc2[nH]1
InChIInChI=1S/C15H13FN4O4S/c1-7-18-11-4-3-10(13(16)14(11)19-7)20-25(23,24)8-2-5-12(21)9(6-8)15(17)22/h2-6,20-21H,1H3,(H2,17,22)(H,18,19)
InChIKeyFIGFRULLPUKJKR-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.62
Rot. Bonds4

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

5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide (PubChem CID 130406189) has the molecular formula C15H13FN4O4S and a molecular weight of 364.36 g/mol. Its IUPAC name is 5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
PubChem CID130406189
Molecular FormulaC15H13FN4O4S
Molecular Weight364.36 g/mol
Exact Mass364.06
IUPAC Name5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
SMILESCc1nc2c(F)c(NS(=O)(=O)c3ccc(O)c(C(N)=O)c3)ccc2[nH]1
InChIInChI=1S/C15H13FN4O4S/c1-7-18-11-4-3-10(13(16)14(11)19-7)20-25(23,24)8-2-5-12(21)9(6-8)15(17)22/h2-6,20-21H,1H3,(H2,17,22)(H,18,19)
InChIKeyFIGFRULLPUKJKR-UHFFFAOYSA-N
XLogP1.62
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide?
The IUPAC name of 5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide (CID 130406189) is 5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide?
The canonical SMILES for 5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide is Cc1nc2c(F)c(NS(=O)(=O)c3ccc(O)c(C(N)=O)c3)ccc2[nH]1.
What is the InChIKey of 5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide?
The InChIKey is FIGFRULLPUKJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O4S/c1-7-18-11-4-3-10(13(16)14(11)19-7)20-25(23,24)8-2-5-12(21)9(6-8)15(17)22/h2-6,20-21H,1H3,(H2,17,22)(H,18,19).
What are the key properties of 5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide?
5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide has a molecular weight of 364.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2-methyl-1H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide is sourced from PubChem (CID 130406189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).