5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid

C10H14BrNO5S2 — CID 66089672

IUPAC5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(CCO)CNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C10H14BrNO5S2/c1-6(2-3-13)5-12-19(16,17)8-4-7(10(14)15)18-9(8)11/h4,6,12-13H,2-3,5H2,1H3,(H,14,15)
InChIKeyKBMPFZNOKRFASO-UHFFFAOYSA-N
MW372.26 g/mol
LogP1.51
Rot. Bonds7

About 5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 66089672) has the molecular formula C10H14BrNO5S2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID66089672
Molecular FormulaC10H14BrNO5S2
Molecular Weight372.26 g/mol
Exact Mass370.95
IUPAC Name5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(CCO)CNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C10H14BrNO5S2/c1-6(2-3-13)5-12-19(16,17)8-4-7(10(14)15)18-9(8)11/h4,6,12-13H,2-3,5H2,1H3,(H,14,15)
InChIKeyKBMPFZNOKRFASO-UHFFFAOYSA-N
XLogP1.51
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-bromo-4-[(3-hydroxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylate
CID 65034395
5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107151279
5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683979
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
methyl 5-bromo-4-[[(2R)-2-hydroxypropyl]sulfamoyl]thiophene-2-carboxylate
CID 83030015
5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66172242
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
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-[(5-bromothiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61012975
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
5-bromo-4-[3-(2-hydroxyethoxy)propylsulfamoyl]thiophene-2-carboxylic acid
CID 106305253

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid (CID 66089672) is 5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid is CC(CCO)CNS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is KBMPFZNOKRFASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO5S2/c1-6(2-3-13)5-12-19(16,17)8-4-7(10(14)15)18-9(8)11/h4,6,12-13H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 372.26 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 66089672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).