2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide

C12H10Br2N2O3S2 — CID 107965297

IUPAC2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C12H10Br2N2O3S2/c1-6-4-7(21(15,18)19)2-3-9(6)16-12(17)8-5-10(13)20-11(8)14/h2-5H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyGPSRWUYBBVJATA-UHFFFAOYSA-N
MW454.17 g/mol
LogP3.48
Rot. Bonds3

About 2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide

2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide (PubChem CID 107965297) has the molecular formula C12H10Br2N2O3S2 and a molecular weight of 454.17 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
PubChem CID107965297
Molecular FormulaC12H10Br2N2O3S2
Molecular Weight454.17 g/mol
Exact Mass451.85
IUPAC Name2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C12H10Br2N2O3S2/c1-6-4-7(21(15,18)19)2-3-9(6)16-12(17)8-5-10(13)20-11(8)14/h2-5H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyGPSRWUYBBVJATA-UHFFFAOYSA-N
XLogP3.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.17
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965284
2,5-dichloro-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965296
2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959542
5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 79999800
N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238411
N-(2-methyl-4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 63080492
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide
CID 79999807
2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 113237204
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 107965275
N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959498

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide (CID 107965297) is 2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide?
The InChIKey is GPSRWUYBBVJATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O3S2/c1-6-4-7(21(15,18)19)2-3-9(6)16-12(17)8-5-10(13)20-11(8)14/h2-5H,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide?
2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide has a molecular weight of 454.17 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 107965297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).