ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate

C16H15FN2O6S — CID 50890076

IUPACethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15FN2O6S/c1-2-25-16(20)11-18(13-8-4-3-7-12(13)17)26(23,24)15-10-6-5-9-14(15)19(21)22/h3-10H,2,11H2,1H3
InChIKeyNVHGOMMCJABQKW-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.49
Rot. Bonds7

About ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate

ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate (PubChem CID 50890076) has the molecular formula C16H15FN2O6S and a molecular weight of 382.37 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate
PubChem CID50890076
Molecular FormulaC16H15FN2O6S
Molecular Weight382.37 g/mol
Exact Mass382.06
IUPAC Nameethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15FN2O6S/c1-2-25-16(20)11-18(13-8-4-3-7-12(13)17)26(23,24)15-10-6-5-9-14(15)19(21)22/h3-10H,2,11H2,1H3
InChIKeyNVHGOMMCJABQKW-UHFFFAOYSA-N
XLogP2.49
TPSA106.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
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

propan-2-yl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50890075
ethyl 2-(2-chloro-5-nitro-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50894192
ethyl 2-(3-methyl-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50889932
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate
CID 50889178
propan-2-yl 2-(2-iodo-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50890729
2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid
CID 50891057
N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173681
N-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide
CID 50892892
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methyl-3-nitroanilino)acetate
CID 100500698
ethyl 2-(2-chloro-N-(2-methyl-5-nitrophenyl)sulfonylanilino)acetate
CID 100536678
methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 997555
N-(2-fluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-2-nitrobenzenesulfonamide
CID 101231552

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate?
The IUPAC name of ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate (CID 50890076) is ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate is CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate?
The InChIKey is NVHGOMMCJABQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O6S/c1-2-25-16(20)11-18(13-8-4-3-7-12(13)17)26(23,24)15-10-6-5-9-14(15)19(21)22/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate?
ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate has a molecular weight of 382.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate is sourced from PubChem (CID 50890076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).