5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid

C8H10BrNO4S2 — CID 43173191

IUPAC5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCCNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C8H10BrNO4S2/c1-2-3-10-16(13,14)6-4-5(8(11)12)15-7(6)9/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyBBEMWPRIIVXMPZ-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.90
Rot. Bonds5

About 5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid

5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43173191) has the molecular formula C8H10BrNO4S2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43173191
Molecular FormulaC8H10BrNO4S2
Molecular Weight328.21 g/mol
Exact Mass326.92
IUPAC Name5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCCNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C8H10BrNO4S2/c1-2-3-10-16(13,14)6-4-5(8(11)12)15-7(6)9/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyBBEMWPRIIVXMPZ-UHFFFAOYSA-N
XLogP1.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-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
2,5-dibromo-N-propylthiophene-3-sulfonamide
CID 43212966
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
5-bromo-4-[3-(2-hydroxyethoxy)propylsulfamoyl]thiophene-2-carboxylic acid
CID 106305253
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-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107151279

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid (CID 43173191) is 5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid is CCCNS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is BBEMWPRIIVXMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO4S2/c1-2-3-10-16(13,14)6-4-5(8(11)12)15-7(6)9/h4,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid?
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 328.21 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43173191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).