5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid

C11H14BrNO7S — CID 106297009

IUPAC5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2(CO)CCOCC2)c(Br)o1
InChIInChI=1S/C11H14BrNO7S/c12-9-8(5-7(20-9)10(15)16)21(17,18)13-11(6-14)1-3-19-4-2-11/h5,13-14H,1-4,6H2,(H,15,16)
InChIKeyYACACYBTDKKSLK-UHFFFAOYSA-N
MW384.20 g/mol
LogP0.56
Rot. Bonds5

About 5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 106297009) has the molecular formula C11H14BrNO7S and a molecular weight of 384.20 g/mol. Its IUPAC name is 5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid
PubChem CID106297009
Molecular FormulaC11H14BrNO7S
Molecular Weight384.20 g/mol
Exact Mass382.97
IUPAC Name5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2(CO)CCOCC2)c(Br)o1
InChIInChI=1S/C11H14BrNO7S/c12-9-8(5-7(20-9)10(15)16)21(17,18)13-11(6-14)1-3-19-4-2-11/h5,13-14H,1-4,6H2,(H,15,16)
InChIKeyYACACYBTDKKSLK-UHFFFAOYSA-N
XLogP0.56
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid
CID 62829187
2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299191
5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide
CID 106296774
5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid
CID 65105358
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzenesulfonamide
CID 106299135
N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 106298861
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide
CID 106299114
5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid
CID 62829884
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803810
5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 79253717
5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 79079920

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid (CID 106297009) is 5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC2(CO)CCOCC2)c(Br)o1.
What is the InChIKey of 5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is YACACYBTDKKSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO7S/c12-9-8(5-7(20-9)10(15)16)21(17,18)13-11(6-14)1-3-19-4-2-11/h5,13-14H,1-4,6H2,(H,15,16).
What are the key properties of 5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 384.20 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 106297009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).