4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid

C14H12N2O7S — CID 2356961

IUPAC4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H12N2O7S/c1-23-13-7-4-10(16(19)20)8-12(13)15-24(21,22)11-5-2-9(3-6-11)14(17)18/h2-8,15H,1H3,(H,17,18)
InChIKeyYSLCCHPORMJMFG-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.10
Rot. Bonds6

About 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid

4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid (PubChem CID 2356961) has the molecular formula C14H12N2O7S and a molecular weight of 352.32 g/mol. Its IUPAC name is 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
PubChem CID2356961
Molecular FormulaC14H12N2O7S
Molecular Weight352.32 g/mol
Exact Mass352.04
IUPAC Name4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H12N2O7S/c1-23-13-7-4-10(16(19)20)8-12(13)15-24(21,22)11-5-2-9(3-6-11)14(17)18/h2-8,15H,1H3,(H,17,18)
InChIKeyYSLCCHPORMJMFG-UHFFFAOYSA-N
XLogP2.10
TPSA135.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.10
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'}

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Related Compounds

3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
5-[(4-Methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 851353
4-{[(2-Methoxyphenyl)amino]sulfonyl}benzamide
CID 2098777
3-[(2-Methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
CID 3865487
3-[(2-Methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
CID 2318420
4-[(4-methoxyphenyl)sulfamoyl]benzoic Acid
CID 2376812
(2,6-Dinitro-4-sulfamoylphenyl) benzoate
CID 145989063
(2-Oxooxolan-3-yl) 3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate
CID 4131644
4-Fluoro-3-((4-methoxyphenyl)sulfamoyl)benzoic acid
CID 777280
4-Methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
CID 2385985
N-(2-methoxy-5-nitrophenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 5217786
N-(2-methoxy-5-nitrophenyl)-4-methylbenzenesulfonamide
CID 264512

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid (CID 2356961) is 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid is COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid?
The InChIKey is YSLCCHPORMJMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O7S/c1-23-13-7-4-10(16(19)20)8-12(13)15-24(21,22)11-5-2-9(3-6-11)14(17)18/h2-8,15H,1H3,(H,17,18).
What are the key properties of 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid?
4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid has a molecular weight of 352.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2356961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).