5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid

C9H7BrN2O6S — CID 62804321

IUPAC5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2cc(C(=O)O)oc2Br)no1
InChIInChI=1S/C9H7BrN2O6S/c1-4-2-7(11-18-4)12-19(15,16)6-3-5(9(13)14)17-8(6)10/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyNIVVMQWTLVAZIH-UHFFFAOYSA-N
MW351.13 g/mol
LogP1.84
Rot. Bonds4

About 5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62804321) has the molecular formula C9H7BrN2O6S and a molecular weight of 351.13 g/mol. Its IUPAC name is 5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62804321
Molecular FormulaC9H7BrN2O6S
Molecular Weight351.13 g/mol
Exact Mass349.92
IUPAC Name5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2cc(C(=O)O)oc2Br)no1
InChIInChI=1S/C9H7BrN2O6S/c1-4-2-7(11-18-4)12-19(15,16)6-3-5(9(13)14)17-8(6)10/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyNIVVMQWTLVAZIH-UHFFFAOYSA-N
XLogP1.84
TPSA122.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.13
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)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-[(5-bromo-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803639
5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 106394932
5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 43323944
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 81471487
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
3-amino-5-bromo-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 114378523
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-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
5-bromo-4-(3-ethylpentan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 63843662
5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
CID 62803988

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid (CID 62804321) is 5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2cc(C(=O)O)oc2Br)no1.
What is the InChIKey of 5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is NIVVMQWTLVAZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O6S/c1-4-2-7(11-18-4)12-19(15,16)6-3-5(9(13)14)17-8(6)10/h2-3H,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 351.13 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62804321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).