5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid

C12H10BrNO5S — CID 107624822

IUPAC5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1c(Br)cccc1NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H10BrNO5S/c1-7-8(13)3-2-4-9(7)14-20(17,18)11-6-5-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyQJCLAWZOULTGMJ-UHFFFAOYSA-N
MW360.19 g/mol
LogP2.85
Rot. Bonds4

About 5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid

5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 107624822) has the molecular formula C12H10BrNO5S and a molecular weight of 360.19 g/mol. Its IUPAC name is 5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID107624822
Molecular FormulaC12H10BrNO5S
Molecular Weight360.19 g/mol
Exact Mass358.95
IUPAC Name5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1c(Br)cccc1NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H10BrNO5S/c1-7-8(13)3-2-4-9(7)14-20(17,18)11-6-5-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyQJCLAWZOULTGMJ-UHFFFAOYSA-N
XLogP2.85
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-bromo-2-methylphenyl)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

N-(3-bromo-2-methylphenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106088206
5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 66254351
5-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 43707205
5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid
CID 43712643
5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775672
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
5-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
CID 81370759
5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
CID 115376501
5-(3-bromo-2-methylphenyl)furan-2-carboxylic acid
CID 107626669
5-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 29077659
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid
CID 29077337

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid (CID 107624822) is 5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid is Cc1c(Br)cccc1NS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is QJCLAWZOULTGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO5S/c1-7-8(13)3-2-4-9(7)14-20(17,18)11-6-5-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid?
5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 360.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 107624822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).