2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide

C17H18N4O4S — CID 130406259

IUPAC2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide
SMILESCC(C)c1nc2ccc(NS(=O)(=O)c3ccc(O)c(C(N)=O)c3)cc2[nH]1
InChIInChI=1S/C17H18N4O4S/c1-9(2)17-19-13-5-3-10(7-14(13)20-17)21-26(24,25)11-4-6-15(22)12(8-11)16(18)23/h3-9,21-22H,1-2H3,(H2,18,23)(H,19,20)
InChIKeyLUWFVEYYRMEOEZ-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.29
Rot. Bonds5

About 2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide

2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide (PubChem CID 130406259) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide
PubChem CID130406259
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide
SMILESCC(C)c1nc2ccc(NS(=O)(=O)c3ccc(O)c(C(N)=O)c3)cc2[nH]1
InChIInChI=1S/C17H18N4O4S/c1-9(2)17-19-13-5-3-10(7-14(13)20-17)21-26(24,25)11-4-6-15(22)12(8-11)16(18)23/h3-9,21-22H,1-2H3,(H2,18,23)(H,19,20)
InChIKeyLUWFVEYYRMEOEZ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide?
The IUPAC name of 2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide (CID 130406259) is 2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide?
The canonical SMILES for 2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide is CC(C)c1nc2ccc(NS(=O)(=O)c3ccc(O)c(C(N)=O)c3)cc2[nH]1.
What is the InChIKey of 2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide?
The InChIKey is LUWFVEYYRMEOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-9(2)17-19-13-5-3-10(7-14(13)20-17)21-26(24,25)11-4-6-15(22)12(8-11)16(18)23/h3-9,21-22H,1-2H3,(H2,18,23)(H,19,20).
What are the key properties of 2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide?
2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide has a molecular weight of 374.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfamoyl]benzamide is sourced from PubChem (CID 130406259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).