2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide

C15H13FN2O6S — CID 7544866

IUPAC2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13FN2O6S/c1-24-11-4-7-13(14(8-11)18(20)21)17-15(19)9-25(22,23)12-5-2-10(16)3-6-12/h2-8H,9H2,1H3,(H,17,19)
InChIKeyREAGVCSJENYKCZ-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.15
Rot. Bonds6

About 2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide

2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 7544866) has the molecular formula C15H13FN2O6S and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID7544866
Molecular FormulaC15H13FN2O6S
Molecular Weight368.34 g/mol
Exact Mass368.05
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13FN2O6S/c1-24-11-4-7-13(14(8-11)18(20)21)17-15(19)9-25(22,23)12-5-2-10(16)3-6-12/h2-8H,9H2,1H3,(H,17,19)
InChIKeyREAGVCSJENYKCZ-UHFFFAOYSA-N
XLogP2.15
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.15
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-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9099548
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3890820
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192871
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9370182
N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827015

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide (CID 7544866) is 2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is REAGVCSJENYKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O6S/c1-24-11-4-7-13(14(8-11)18(20)21)17-15(19)9-25(22,23)12-5-2-10(16)3-6-12/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 368.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 7544866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).