5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid

C8H8BrNO5S — CID 62803276

IUPAC5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CC2)c(Br)o1
InChIInChI=1S/C8H8BrNO5S/c9-7-6(3-5(15-7)8(11)12)16(13,14)10-4-1-2-4/h3-4,10H,1-2H2,(H,11,12)
InChIKeyVWMBQTUVMUUDQQ-UHFFFAOYSA-N
MW310.13 g/mol
LogP1.18
Rot. Bonds4

About 5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid

5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62803276) has the molecular formula C8H8BrNO5S and a molecular weight of 310.13 g/mol. Its IUPAC name is 5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
PubChem CID62803276
Molecular FormulaC8H8BrNO5S
Molecular Weight310.13 g/mol
Exact Mass308.93
IUPAC Name5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CC2)c(Br)o1
InChIInChI=1S/C8H8BrNO5S/c9-7-6(3-5(15-7)8(11)12)16(13,14)10-4-1-2-4/h3-4,10H,1-2H2,(H,11,12)
InChIKeyVWMBQTUVMUUDQQ-UHFFFAOYSA-N
XLogP1.18
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 104655236
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 82725833
5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid
CID 62829884
5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62829355
5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 80714938
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 63995282
5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 114503127
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803810
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 80717647
5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62829523

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid (CID 62803276) is 5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC2CC2)c(Br)o1.
What is the InChIKey of 5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is VWMBQTUVMUUDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO5S/c9-7-6(3-5(15-7)8(11)12)16(13,14)10-4-1-2-4/h3-4,10H,1-2H2,(H,11,12).
What are the key properties of 5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 310.13 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62803276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).