2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid

C15H14N2O7S — CID 50891057

IUPAC2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid
SMILESCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O7S/c1-24-13-8-4-2-6-11(13)16(10-15(18)19)25(22,23)14-9-5-3-7-12(14)17(20)21/h2-9H,10H2,1H3,(H,18,19)
InChIKeyZGMTVQSTHHMZHR-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.88
Rot. Bonds7

About 2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid

2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid (PubChem CID 50891057) has the molecular formula C15H14N2O7S and a molecular weight of 366.35 g/mol. Its IUPAC name is 2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid
PubChem CID50891057
Molecular FormulaC15H14N2O7S
Molecular Weight366.35 g/mol
Exact Mass366.05
IUPAC Name2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid
SMILESCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O7S/c1-24-13-8-4-2-6-11(13)16(10-15(18)19)25(22,23)14-9-5-3-7-12(14)17(20)21/h2-9H,10H2,1H3,(H,18,19)
InChIKeyZGMTVQSTHHMZHR-UHFFFAOYSA-N
XLogP1.88
TPSA127.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
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

2-(5-chloro-2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid
CID 50895119
2-[carboxymethyl-(2-nitrophenyl)sulfonylamino]benzoic acid
CID 50894406
methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 997555
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028
4-(5-chloro-2-methoxy-N-(2-nitrophenyl)sulfonylanilino)butanoic acid
CID 50895272
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]ethyl]acetamide
CID 43891797
N-benzyl-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 997499
N-benzyl-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-methylacetamide
CID 1102369
ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50890076
propan-2-yl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50890075
N-[(2R)-butan-2-yl]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 40631968
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(4-methylphenyl)acetamide
CID 997549

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid (CID 50891057) is 2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid is COc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid?
The InChIKey is ZGMTVQSTHHMZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O7S/c1-24-13-8-4-2-6-11(13)16(10-15(18)19)25(22,23)14-9-5-3-7-12(14)17(20)21/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid?
2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid has a molecular weight of 366.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 50891057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).