5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide

C15H11F3N4O4S — CID 130406342

IUPAC5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc(C(F)(F)F)c1O
InChIInChI=1S/C15H11F3N4O4S/c16-15(17,18)10-5-8(4-9(13(10)23)14(19)24)27(25,26)22-7-1-2-11-12(3-7)21-6-20-11/h1-6,22-23H,(H2,19,24)(H,20,21)
InChIKeyZBSKCLHCSVFCNK-UHFFFAOYSA-N
MW400.34 g/mol
LogP2.19
Rot. Bonds4

About 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide

5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide (PubChem CID 130406342) has the molecular formula C15H11F3N4O4S and a molecular weight of 400.34 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide
PubChem CID130406342
Molecular FormulaC15H11F3N4O4S
Molecular Weight400.34 g/mol
Exact Mass400.05
IUPAC Name5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc(C(F)(F)F)c1O
InChIInChI=1S/C15H11F3N4O4S/c16-15(17,18)10-5-8(4-9(13(10)23)14(19)24)27(25,26)22-7-1-2-11-12(3-7)21-6-20-11/h1-6,22-23H,(H2,19,24)(H,20,21)
InChIKeyZBSKCLHCSVFCNK-UHFFFAOYSA-N
XLogP2.19
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

CID 130406096
CID 130406096
CID 130406127
CID 130406127
CID 130406172
CID 130406172
CID 130406189
CID 130406189
CID 139071539
CID 139071539
CID 139197033
CID 139197033
CID 139197034
CID 139197034
CID 139197035
CID 139197035
CID 130406120
CID 130406120
CID 130406138
CID 130406138
CID 130406142
CID 130406142
CID 130406143
CID 130406143

Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide?
The IUPAC name of 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide (CID 130406342) is 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide?
The canonical SMILES for 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide is NC(=O)c1cc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc(C(F)(F)F)c1O.
What is the InChIKey of 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide?
The InChIKey is ZBSKCLHCSVFCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O4S/c16-15(17,18)10-5-8(4-9(13(10)23)14(19)24)27(25,26)22-7-1-2-11-12(3-7)21-6-20-11/h1-6,22-23H,(H2,19,24)(H,20,21).
What are the key properties of 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide?
5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide has a molecular weight of 400.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-ylsulfamoyl)-2-hydroxy-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 130406342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).