N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide

C15H10BrNO2S — CID 103872126

IUPACN-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide
SMILESO=C(Nc1ccc2sccc2c1)c1ccc(Br)c(O)c1
InChIInChI=1S/C15H10BrNO2S/c16-12-3-1-10(8-13(12)18)15(19)17-11-2-4-14-9(7-11)5-6-20-14/h1-8,18H,(H,17,19)
InChIKeyRNIDJMOULABLPM-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.62
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide

N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide (PubChem CID 103872126) has the molecular formula C15H10BrNO2S and a molecular weight of 348.22 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide
PubChem CID103872126
Molecular FormulaC15H10BrNO2S
Molecular Weight348.22 g/mol
Exact Mass346.96
IUPAC NameN-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide
SMILESO=C(Nc1ccc2sccc2c1)c1ccc(Br)c(O)c1
InChIInChI=1S/C15H10BrNO2S/c16-12-3-1-10(8-13(12)18)15(19)17-11-2-4-14-9(7-11)5-6-20-14/h1-8,18H,(H,17,19)
InChIKeyRNIDJMOULABLPM-UHFFFAOYSA-N
XLogP4.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide (CID 103872126) is N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide is O=C(Nc1ccc2sccc2c1)c1ccc(Br)c(O)c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide?
The InChIKey is RNIDJMOULABLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2S/c16-12-3-1-10(8-13(12)18)15(19)17-11-2-4-14-9(7-11)5-6-20-14/h1-8,18H,(H,17,19).
What are the key properties of N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide?
N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide has a molecular weight of 348.22 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-4-bromo-3-hydroxybenzamide is sourced from PubChem (CID 103872126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).