4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide

C11H7Br2ClN2O3S2 — CID 80534332

IUPAC4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C11H7Br2ClN2O3S2/c12-6-4-9(20-10(6)13)11(17)16-8-3-5(21(15,18)19)1-2-7(8)14/h1-4H,(H,16,17)(H2,15,18,19)
InChIKeyOQLILRHUWRUNDZ-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.83
Rot. Bonds3

About 4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide

4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide (PubChem CID 80534332) has the molecular formula C11H7Br2ClN2O3S2 and a molecular weight of 474.58 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
PubChem CID80534332
Molecular FormulaC11H7Br2ClN2O3S2
Molecular Weight474.58 g/mol
Exact Mass471.80
IUPAC Name4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C11H7Br2ClN2O3S2/c12-6-4-9(20-10(6)13)11(17)16-8-3-5(21(15,18)19)1-2-7(8)14/h1-4H,(H,16,17)(H2,15,18,19)
InChIKeyOQLILRHUWRUNDZ-UHFFFAOYSA-N
XLogP3.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 62276709
4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide
CID 78954012
5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 79999800
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide
CID 79999807
N-(2-chloro-5-sulfamoylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 61128987
N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61131082
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 79990693
N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238411
N-(2-chloro-5-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 61131080
4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103811052
4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide
CID 78915812

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide (CID 80534332) is 4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide is NS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(Br)c(Br)s2)c1.
What is the InChIKey of 4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide?
The InChIKey is OQLILRHUWRUNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClN2O3S2/c12-6-4-9(20-10(6)13)11(17)16-8-3-5(21(15,18)19)1-2-7(8)14/h1-4H,(H,16,17)(H2,15,18,19).
What are the key properties of 4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 80534332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).