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

C10H12BrNO5S — CID 62829884

IUPAC5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid
SMILESCC1(C)CC1NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H12BrNO5S/c1-10(2)4-7(10)12-18(15,16)6-3-5(9(13)14)17-8(6)11/h3,7,12H,4H2,1-2H3,(H,13,14)
InChIKeyPHSGECBMZPQROU-UHFFFAOYSA-N
MW338.18 g/mol
LogP1.82
Rot. Bonds4

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

5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62829884) has the molecular formula C10H12BrNO5S and a molecular weight of 338.18 g/mol. Its IUPAC name is 5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62829884
Molecular FormulaC10H12BrNO5S
Molecular Weight338.18 g/mol
Exact Mass336.96
IUPAC Name5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid
SMILESCC1(C)CC1NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C10H12BrNO5S/c1-10(2)4-7(10)12-18(15,16)6-3-5(9(13)14)17-8(6)11/h3,7,12H,4H2,1-2H3,(H,13,14)
InChIKeyPHSGECBMZPQROU-UHFFFAOYSA-N
XLogP1.82
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid (CID 62829884) is 5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid is CC1(C)CC1NS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is PHSGECBMZPQROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO5S/c1-10(2)4-7(10)12-18(15,16)6-3-5(9(13)14)17-8(6)11/h3,7,12H,4H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 338.18 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62829884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).