5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid

C11H8N2O7S — CID 43712643

IUPAC5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C11H8N2O7S/c14-11(15)9-5-6-10(20-9)21(18,19)12-7-3-1-2-4-8(7)13(16)17/h1-6,12H,(H,14,15)
InChIKeyVPXKHPFDYVDPFX-UHFFFAOYSA-N
MW312.26 g/mol
LogP1.69
Rot. Bonds5

About 5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid

5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43712643) has the molecular formula C11H8N2O7S and a molecular weight of 312.26 g/mol. Its IUPAC name is 5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43712643
Molecular FormulaC11H8N2O7S
Molecular Weight312.26 g/mol
Exact Mass312.01
IUPAC Name5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C11H8N2O7S/c14-11(15)9-5-6-10(20-9)21(18,19)12-7-3-1-2-4-8(7)13(16)17/h1-6,12H,(H,14,15)
InChIKeyVPXKHPFDYVDPFX-UHFFFAOYSA-N
XLogP1.69
TPSA139.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(2-nitrophenyl)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-[(2-propylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 43707205
4-(bromomethyl)-N-(2-nitrophenyl)benzenesulfonamide
CID 65481606
5-[(3-bromo-2-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 107624822
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43229117
N-(2-nitrophenyl)naphthalene-2-sulfonamide
CID 19203612
5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 66254351
2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide
CID 61051817
N-(methylsulfamoyl)-2-nitroaniline
CID 127505599
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 3768669
N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide
CID 142740286
5-(2-nitrophenyl)sulfanylfuran-2-carboxylic acid
CID 62205515

Frequently Asked Questions

What is the IUPAC name of 5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid (CID 43712643) is 5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of 5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is VPXKHPFDYVDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O7S/c14-11(15)9-5-6-10(20-9)21(18,19)12-7-3-1-2-4-8(7)13(16)17/h1-6,12H,(H,14,15).
What are the key properties of 5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid?
5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 312.26 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43712643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).