N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide

C12H11BrN2O3S2 — CID 44520899

IUPACN-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Br)c1
InChIInChI=1S/C12H11BrN2O3S2/c13-10-7-9(20(14,17)18)3-4-11(10)15-12(16)6-8-2-1-5-19-8/h1-5,7H,6H2,(H,15,16)(H2,14,17,18)
InChIKeyKVGHLXAKCYPEFF-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.34
Rot. Bonds4

About N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide

N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide (PubChem CID 44520899) has the molecular formula C12H11BrN2O3S2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide
PubChem CID44520899
Molecular FormulaC12H11BrN2O3S2
Molecular Weight375.27 g/mol
Exact Mass373.94
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Br)c1
InChIInChI=1S/C12H11BrN2O3S2/c13-10-7-9(20(14,17)18)3-4-11(10)15-12(16)6-8-2-1-5-19-8/h1-5,7H,6H2,(H,15,16)(H2,14,17,18)
InChIKeyKVGHLXAKCYPEFF-UHFFFAOYSA-N
XLogP2.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide (CID 44520899) is N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide is NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is KVGHLXAKCYPEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S2/c13-10-7-9(20(14,17)18)3-4-11(10)15-12(16)6-8-2-1-5-19-8/h1-5,7H,6H2,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide?
N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 375.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 44520899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).