5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid

C12H12BrNO5S2 — CID 62830912

IUPAC5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
SMILESCC(Cc1cccs1)NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C12H12BrNO5S2/c1-7(5-8-3-2-4-20-8)14-21(17,18)10-6-9(12(15)16)19-11(10)13/h2-4,6-7,14H,5H2,1H3,(H,15,16)
InChIKeyGUUROUWATODLPB-UHFFFAOYSA-N
MW394.27 g/mol
LogP2.71
Rot. Bonds6

About 5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid

5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62830912) has the molecular formula C12H12BrNO5S2 and a molecular weight of 394.27 g/mol. Its IUPAC name is 5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
PubChem CID62830912
Molecular FormulaC12H12BrNO5S2
Molecular Weight394.27 g/mol
Exact Mass392.93
IUPAC Name5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
SMILESCC(Cc1cccs1)NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C12H12BrNO5S2/c1-7(5-8-3-2-4-20-8)14-21(17,18)10-6-9(12(15)16)19-11(10)13/h2-4,6-7,14H,5H2,1H3,(H,15,16)
InChIKeyGUUROUWATODLPB-UHFFFAOYSA-N
XLogP2.71
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(pent-4-yn-2-ylsulfamoyl)furan-2-carboxylic acid
CID 113477046
5-bromo-4-(1-ethoxypropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62829182
5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 64604213
5-bromo-4-(3-ethylpentan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 63843662
5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 79253717
3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43708771
5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid
CID 62830397
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291367
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291622
5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291710
5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
CID 99775173

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid (CID 62830912) is 5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid is CC(Cc1cccs1)NS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is GUUROUWATODLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO5S2/c1-7(5-8-3-2-4-20-8)14-21(17,18)10-6-9(12(15)16)19-11(10)13/h2-4,6-7,14H,5H2,1H3,(H,15,16).
What are the key properties of 5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 394.27 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62830912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).