4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid

C15H14N2O8S — CID 2385985

IUPAC4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C15H14N2O8S/c1-24-12-6-4-10(17(20)21)8-11(12)16-26(22,23)14-7-9(15(18)19)3-5-13(14)25-2/h3-8,16H,1-2H3,(H,18,19)
InChIKeyMBDDAIOGRWGACF-UHFFFAOYSA-N
MW382.35 g/mol
LogP2.11
Rot. Bonds7

About 4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid

4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid (PubChem CID 2385985) has the molecular formula C15H14N2O8S and a molecular weight of 382.35 g/mol. Its IUPAC name is 4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
PubChem CID2385985
Molecular FormulaC15H14N2O8S
Molecular Weight382.35 g/mol
Exact Mass382.05
IUPAC Name4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C15H14N2O8S/c1-24-12-6-4-10(17(20)21)8-11(12)16-26(22,23)14-7-9(15(18)19)3-5-13(14)25-2/h3-8,16H,1-2H3,(H,18,19)
InChIKeyMBDDAIOGRWGACF-UHFFFAOYSA-N
XLogP2.11
TPSA145.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
3-[(2-Methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
CID 3865487
3-(Aminosulfonyl)-5-nitro-4-phenoxybenzoic acid
CID 119926
3-Amino-4-phenoxy-5-sulfamoylbenzoic acid
CID 119927
4-Methoxy-3-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 3920847
(2-Oxooxolan-3-yl) 3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate
CID 4131644
4-Methoxy-3-{[(3-methylphenyl)amino]sulfonyl}benzoic acid
CID 1332709
4-methoxy-3-[(4-phenoxyphenyl)sulfamoyl]benzoic Acid
CID 2383120
3-[(4-Fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
CID 671813
2-Fluoro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid
CID 2356966
3-[(2-Methoxy-5-nitro-phenyl)sulfonylamino]benzoic acid
CID 16384830
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic Acid
CID 777278

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid (CID 2385985) is 4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid is COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)O)ccc1OC.
What is the InChIKey of 4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid?
The InChIKey is MBDDAIOGRWGACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O8S/c1-24-12-6-4-10(17(20)21)8-11(12)16-26(22,23)14-7-9(15(18)19)3-5-13(14)25-2/h3-8,16H,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid?
4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid has a molecular weight of 382.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2385985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).