4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid

C7H9BrN2O4S2 — CID 61403030

IUPAC4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
SMILESNCCNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C7H9BrN2O4S2/c8-6-5(3-4(15-6)7(11)12)16(13,14)10-2-1-9/h3,10H,1-2,9H2,(H,11,12)
InChIKeyDRAPYTBZXLZIFK-UHFFFAOYSA-N
MW329.20 g/mol
LogP0.45
Rot. Bonds5

About 4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid

4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid (PubChem CID 61403030) has the molecular formula C7H9BrN2O4S2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
PubChem CID61403030
Molecular FormulaC7H9BrN2O4S2
Molecular Weight329.20 g/mol
Exact Mass327.92
IUPAC Name4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
SMILESNCCNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C7H9BrN2O4S2/c8-6-5(3-4(15-6)7(11)12)16(13,14)10-2-1-9/h3,10H,1-2,9H2,(H,11,12)
InChIKeyDRAPYTBZXLZIFK-UHFFFAOYSA-N
XLogP0.45
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
5-bromo-4-(4-methylsulfanylbutylsulfamoyl)thiophene-2-carboxylic acid
CID 113437789
5-bromo-4-(2-cyclohexylethylsulfamoyl)thiophene-2-carboxylic acid
CID 60921143
5-bromo-4-[3-(2-hydroxyethoxy)propylsulfamoyl]thiophene-2-carboxylic acid
CID 106305253
5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113437801
5-bromo-4-[(5-bromothiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61012975
5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106395240
5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106414877
5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 103004774
5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107151279

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid?
The IUPAC name of 4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid (CID 61403030) is 4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid is NCCNS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid?
The InChIKey is DRAPYTBZXLZIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O4S2/c8-6-5(3-4(15-6)7(11)12)16(13,14)10-2-1-9/h3,10H,1-2,9H2,(H,11,12).
What are the key properties of 4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid?
4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid has a molecular weight of 329.20 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid is sourced from PubChem (CID 61403030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).