5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide

C17H18N4O4S — CID 130406147

IUPAC5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide
SMILESCCc1nc2ccc(NS(=O)(=O)c3cc(C)c(O)c(C(N)=O)c3)cc2[nH]1
InChIInChI=1S/C17H18N4O4S/c1-3-15-19-13-5-4-10(7-14(13)20-15)21-26(24,25)11-6-9(2)16(22)12(8-11)17(18)23/h4-8,21-22H,3H2,1-2H3,(H2,18,23)(H,19,20)
InChIKeyIJGWSRWKASWBIK-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.04
Rot. Bonds5

About 5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide

5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide (PubChem CID 130406147) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound Name5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide
PubChem CID130406147
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide
SMILESCCc1nc2ccc(NS(=O)(=O)c3cc(C)c(O)c(C(N)=O)c3)cc2[nH]1
InChIInChI=1S/C17H18N4O4S/c1-3-15-19-13-5-4-10(7-14(13)20-15)21-26(24,25)11-6-9(2)16(22)12(8-11)17(18)23/h4-8,21-22H,3H2,1-2H3,(H2,18,23)(H,19,20)
InChIKeyIJGWSRWKASWBIK-UHFFFAOYSA-N
XLogP2.04
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of 5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide (CID 130406147) is 5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for 5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for 5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide is CCc1nc2ccc(NS(=O)(=O)c3cc(C)c(O)c(C(N)=O)c3)cc2[nH]1.
What is the InChIKey of 5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is IJGWSRWKASWBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-3-15-19-13-5-4-10(7-14(13)20-15)21-26(24,25)11-6-9(2)16(22)12(8-11)17(18)23/h4-8,21-22H,3H2,1-2H3,(H2,18,23)(H,19,20).
What are the key properties of 5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide?
5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 374.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 130406147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).