5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid

C11H8N2O6S2 — CID 43229117

IUPAC5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C11H8N2O6S2/c14-11(15)7-5-10(20-6-7)21(18,19)12-8-3-1-2-4-9(8)13(16)17/h1-6,12H,(H,14,15)
InChIKeyYXIMVVDPHFVRTM-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.16
Rot. Bonds5

About 5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid

5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 43229117) has the molecular formula C11H8N2O6S2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID43229117
Molecular FormulaC11H8N2O6S2
Molecular Weight328.33 g/mol
Exact Mass327.98
IUPAC Name5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C11H8N2O6S2/c14-11(15)7-5-10(20-6-7)21(18,19)12-8-3-1-2-4-9(8)13(16)17/h1-6,12H,(H,14,15)
InChIKeyYXIMVVDPHFVRTM-UHFFFAOYSA-N
XLogP2.16
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.16
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]thiophene-3-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-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 25352849
5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56795843
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 25353009
5-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 82705967
5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid
CID 43712643
benzene-1,3-dicarboxylic acid;N-methyl-2-nitroaniline
CID 174776789
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 107787372
5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 80970423
5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 79769700
5-[(2-chloro-4-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39875545
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380

Frequently Asked Questions

What is the IUPAC name of 5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 43229117) is 5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is YXIMVVDPHFVRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O6S2/c14-11(15)7-5-10(20-6-7)21(18,19)12-8-3-1-2-4-9(8)13(16)17/h1-6,12H,(H,14,15).
What are the key properties of 5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 328.33 g/mol, XLogP of 2.16, 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]thiophene-3-carboxylic acid is sourced from PubChem (CID 43229117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).