N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide

C15H13F2N3O5S — CID 1296194

IUPACN-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13F2N3O5S/c1-26(24,25)19(10-4-2-5-11(8-10)20(22)23)9-14(21)18-15-12(16)6-3-7-13(15)17/h2-8H,9H2,1H3,(H,18,21)
InChIKeyYHJBDVZXEZEDHD-UHFFFAOYSA-N
MW385.35 g/mol
LogP2.28
Rot. Bonds6

About N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide

N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide (PubChem CID 1296194) has the molecular formula C15H13F2N3O5S and a molecular weight of 385.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
PubChem CID1296194
Molecular FormulaC15H13F2N3O5S
Molecular Weight385.35 g/mol
Exact Mass385.05
IUPAC NameN-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13F2N3O5S/c1-26(24,25)19(10-4-2-5-11(8-10)20(22)23)9-14(21)18-15-12(16)6-3-7-13(15)17/h2-8H,9H2,1H3,(H,18,21)
InChIKeyYHJBDVZXEZEDHD-UHFFFAOYSA-N
XLogP2.28
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(Cyclohexyl-methanesulfonyl-amino)-N-(2,4-difluoro-phenyl)-acetamide
CID 954246
N~2~-cyclohexyl-N~1~-(2-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 964121
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
N-(4-{[(4-fluoro-3-nitrophenyl)amino]sulfonyl}phenyl)acetamide
CID 1118251
N-(3-fluorophenyl)-N~2~-(methylsulfonyl)-N~2~-(3-nitrophenyl)glycinamide
CID 1309500
N~1~-[4-(acetylamino)phenyl]-N~2~-(methylsulfonyl)-N~2~-(3-nitrophenyl)glycinamide
CID 1317768
N-(2,4-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 2174949
N~2~-(methylsulfonyl)-N~2~-(3-nitrophenyl)-N~1~-(2-phenylethyl)glycinamide
CID 2176116
2-[[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-N-(3-nitrophenyl)acetamide
CID 2549212
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-tert-butylacetamide
CID 3119038
N-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
CID 71462872
2-(N-(3-fluorophenyl)sulfonyl-3-nitroanilino)-N-hydroxyacetamide
CID 168296539

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide (CID 1296194) is N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide?
The InChIKey is YHJBDVZXEZEDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O5S/c1-26(24,25)19(10-4-2-5-11(8-10)20(22)23)9-14(21)18-15-12(16)6-3-7-13(15)17/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide?
N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide has a molecular weight of 385.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide is sourced from PubChem (CID 1296194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).