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

C8H10BrNO6S — CID 94608926

IUPAC5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
SMILESC[C@H](O)CNS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C8H10BrNO6S/c1-4(11)3-10-17(14,15)6-2-5(8(12)13)16-7(6)9/h2,4,10-11H,3H2,1H3,(H,12,13)/t4-/m0/s1
InChIKeyMYVVGLRQCKRXMV-BYPYZUCNSA-N
MW328.14 g/mol
LogP0.40
Rot. Bonds5

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

5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 94608926) has the molecular formula C8H10BrNO6S and a molecular weight of 328.14 g/mol. Its IUPAC name is 5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID94608926
Molecular FormulaC8H10BrNO6S
Molecular Weight328.14 g/mol
Exact Mass326.94
IUPAC Name5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
SMILESC[C@H](O)CNS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C8H10BrNO6S/c1-4(11)3-10-17(14,15)6-2-5(8(12)13)16-7(6)9/h2,4,10-11H,3H2,1H3,(H,12,13)/t4-/m0/s1
InChIKeyMYVVGLRQCKRXMV-BYPYZUCNSA-N
XLogP0.40
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-(Methylsulfamoyl)furan-2-carboxylic acid
CID 17607422
5-Bromo-4-(chlorosulfonyl)furan-2-carboxylic acid
CID 24688430
5-Bromo-4-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 62805612
5-Bromo-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
CID 62828488
5-Bromo-4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
CID 62828832
5-Bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
CID 62829351
5-Bromo-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
CID 62830575
5-Bromo-4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
CID 62831104
5-Bromo-4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]furan-2-carboxylic acid
CID 62831105
5-Bromo-4-(3,3,3-trifluoropropylsulfamoyl)furan-2-carboxylic acid
CID 63226049
5-(3,3,3-Trifluoropropylsulfamoyl)furan-2-carboxylic acid
CID 63226325
5-Bromo-4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]furan-2-carboxylic acid
CID 63827504

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid (CID 94608926) is 5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid is C[C@H](O)CNS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is MYVVGLRQCKRXMV-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H10BrNO6S/c1-4(11)3-10-17(14,15)6-2-5(8(12)13)16-7(6)9/h2,4,10-11H,3H2,1H3,(H,12,13)/t4-/m0/s1.
What are the key properties of 5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 328.14 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 94608926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).