5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid

C10H6Br2N2O5S — CID 62803639

IUPAC5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cn2)c(Br)o1
InChIInChI=1S/C10H6Br2N2O5S/c11-5-1-2-8(13-4-5)14-20(17,18)7-3-6(10(15)16)19-9(7)12/h1-4H,(H,13,14)(H,15,16)
InChIKeySWIBYMIOBWUORK-UHFFFAOYSA-N
MW426.04 g/mol
LogP2.70
Rot. Bonds4

About 5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62803639) has the molecular formula C10H6Br2N2O5S and a molecular weight of 426.04 g/mol. Its IUPAC name is 5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62803639
Molecular FormulaC10H6Br2N2O5S
Molecular Weight426.04 g/mol
Exact Mass423.84
IUPAC Name5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cn2)c(Br)o1
InChIInChI=1S/C10H6Br2N2O5S/c11-5-1-2-8(13-4-5)14-20(17,18)7-3-6(10(15)16)19-9(7)12/h1-4H,(H,13,14)(H,15,16)
InChIKeySWIBYMIOBWUORK-UHFFFAOYSA-N
XLogP2.70
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.04
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 29077659
5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 83165262
5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62804321
5-methyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803253
3-amino-4-[(5-bromo-2-pyridinyl)sulfamoyl]benzoic acid
CID 81465963
5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 81260387
5-bromo-4-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775676
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 167971932
5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81393153
5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid
CID 79758173

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid (CID 62803639) is 5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cn2)c(Br)o1.
What is the InChIKey of 5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is SWIBYMIOBWUORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2O5S/c11-5-1-2-8(13-4-5)14-20(17,18)7-3-6(10(15)16)19-9(7)12/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 426.04 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62803639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).