5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid

C10H14BrNO5S2 — CID 113468643

IUPAC5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CCCO)S(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C10H14BrNO5S2/c1-2-12(4-3-5-13)19(16,17)8-6-7(10(14)15)18-9(8)11/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyVVMJPFIJIQFMNS-UHFFFAOYSA-N
MW372.26 g/mol
LogP1.60
Rot. Bonds7

About 5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 113468643) has the molecular formula C10H14BrNO5S2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID113468643
Molecular FormulaC10H14BrNO5S2
Molecular Weight372.26 g/mol
Exact Mass370.95
IUPAC Name5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(CCCO)S(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C10H14BrNO5S2/c1-2-12(4-3-5-13)19(16,17)8-6-7(10(14)15)18-9(8)11/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyVVMJPFIJIQFMNS-UHFFFAOYSA-N
XLogP1.60
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid
CID 43362638
5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43269299
2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 60956798
5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide
CID 115755413
5-bromo-4-[3-methoxypropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55140491
5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60950189
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43570048
5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60952478
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid (CID 113468643) is 5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid is CCN(CCCO)S(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is VVMJPFIJIQFMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO5S2/c1-2-12(4-3-5-13)19(16,17)8-6-7(10(14)15)18-9(8)11/h6,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 372.26 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 113468643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).