5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid

C10H15BrN2O4S2 — CID 43351443

IUPAC5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN(C)CCCNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C10H15BrN2O4S2/c1-13(2)5-3-4-12-19(16,17)8-6-7(10(14)15)18-9(8)11/h6,12H,3-5H2,1-2H3,(H,14,15)
InChIKeySFMZXHCRTCSQOM-UHFFFAOYSA-N
MW371.28 g/mol
LogP1.44
Rot. Bonds7

About 5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43351443) has the molecular formula C10H15BrN2O4S2 and a molecular weight of 371.28 g/mol. Its IUPAC name is 5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID43351443
Molecular FormulaC10H15BrN2O4S2
Molecular Weight371.28 g/mol
Exact Mass369.97
IUPAC Name5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN(C)CCCNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C10H15BrN2O4S2/c1-13(2)5-3-4-12-19(16,17)8-6-7(10(14)15)18-9(8)11/h6,12H,3-5H2,1-2H3,(H,14,15)
InChIKeySFMZXHCRTCSQOM-UHFFFAOYSA-N
XLogP1.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
5-bromo-4-(4-methylsulfanylbutylsulfamoyl)thiophene-2-carboxylic acid
CID 113437789
5-bromo-4-[3-(2-hydroxyethoxy)propylsulfamoyl]thiophene-2-carboxylic acid
CID 106305253
4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 61403030
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide
CID 106051850
methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate
CID 37476569
5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106414877
5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66089672
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113437801
5-bromo-4-(2-cyclohexylethylsulfamoyl)thiophene-2-carboxylic acid
CID 60921143

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid (CID 43351443) is 5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid is CN(C)CCCNS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is SFMZXHCRTCSQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O4S2/c1-13(2)5-3-4-12-19(16,17)8-6-7(10(14)15)18-9(8)11/h6,12H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 371.28 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43351443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).