5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid

C9H10BrNO6S2 — CID 43665900

IUPAC5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOC(=O)CCNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C9H10BrNO6S2/c1-17-7(12)2-3-11-19(15,16)6-4-5(9(13)14)18-8(6)10/h4,11H,2-3H2,1H3,(H,13,14)
InChIKeyZMXQVCYULSPWQT-UHFFFAOYSA-N
MW372.22 g/mol
LogP1.05
Rot. Bonds6

About 5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43665900) has the molecular formula C9H10BrNO6S2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43665900
Molecular FormulaC9H10BrNO6S2
Molecular Weight372.22 g/mol
Exact Mass370.91
IUPAC Name5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOC(=O)CCNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C9H10BrNO6S2/c1-17-7(12)2-3-11-19(15,16)6-4-5(9(13)14)18-8(6)10/h4,11H,2-3H2,1H3,(H,13,14)
InChIKeyZMXQVCYULSPWQT-UHFFFAOYSA-N
XLogP1.05
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoate
CID 60652067
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 61403030
5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113437801
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
5-bromo-4-(4-methylsulfanylbutylsulfamoyl)thiophene-2-carboxylic acid
CID 113437789
methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate
CID 37476569
5-bromo-4-[3-(2-hydroxyethoxy)propylsulfamoyl]thiophene-2-carboxylic acid
CID 106305253
methyl 6-[(2,5-dibromothiophen-3-yl)sulfonylamino]hexanoate
CID 43405597
5-bromo-2-fluoro-3-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 43665893
5-bromo-4-(2-cyclohexylethylsulfamoyl)thiophene-2-carboxylic acid
CID 60921143
methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate
CID 64591938

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43665900) is 5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid is COC(=O)CCNS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ZMXQVCYULSPWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO6S2/c1-17-7(12)2-3-11-19(15,16)6-4-5(9(13)14)18-8(6)10/h4,11H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 372.22 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43665900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).