5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid

C19H24BrNO5S — CID 166392198

IUPAC5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid
SMILESCC(C)C(NS(=O)(=O)c1cc(C(=O)O)oc1Br)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24BrNO5S/c1-11(2)16(12-6-8-13(9-7-12)19(3,4)5)21-27(24,25)15-10-14(18(22)23)26-17(15)20/h6-11,16,21H,1-5H3,(H,22,23)
InChIKeyRRUSBECNUFSYJO-UHFFFAOYSA-N
MW458.37 g/mol
LogP4.71
Rot. Bonds6

About 5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 166392198) has the molecular formula C19H24BrNO5S and a molecular weight of 458.37 g/mol. Its IUPAC name is 5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID166392198
Molecular FormulaC19H24BrNO5S
Molecular Weight458.37 g/mol
Exact Mass457.06
IUPAC Name5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid
SMILESCC(C)C(NS(=O)(=O)c1cc(C(=O)O)oc1Br)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24BrNO5S/c1-11(2)16(12-6-8-13(9-7-12)19(3,4)5)21-27(24,25)15-10-14(18(22)23)26-17(15)20/h6-11,16,21H,1-5H3,(H,22,23)
InChIKeyRRUSBECNUFSYJO-UHFFFAOYSA-N
XLogP4.71
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]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

Related Compounds

5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 79253717
5-bromo-4-(3-ethylpentan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 63843662
5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62828655
5-bromo-4-(pent-4-yn-2-ylsulfamoyl)furan-2-carboxylic acid
CID 113477046
5-bromo-4-(1-ethoxypropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62829182
5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 64604213
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912
5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81393153
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
4-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 62829535
5-bromo-4-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62830573
5-bromo-4-(2-methylpropoxysulfamoyl)furan-2-carboxylic acid
CID 82707522

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid (CID 166392198) is 5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid is CC(C)C(NS(=O)(=O)c1cc(C(=O)O)oc1Br)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is RRUSBECNUFSYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO5S/c1-11(2)16(12-6-8-13(9-7-12)19(3,4)5)21-27(24,25)15-10-14(18(22)23)26-17(15)20/h6-11,16,21H,1-5H3,(H,22,23).
What are the key properties of 5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 458.37 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[1-(4-tert-butylphenyl)-2-methylpropyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 166392198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).