N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide

C15H14FN3O6S — CID 139622066

IUPACN-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1cc(NS(C)(=O)=O)c(Oc2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14FN3O6S/c1-9(20)17-11-7-12(18-26(2,23)24)15(8-13(11)19(21)22)25-14-6-4-3-5-10(14)16/h3-8,18H,1-2H3,(H,17,20)
InChIKeyAIBCKPBWYBMMNU-UHFFFAOYSA-N
MW383.36 g/mol
LogP2.86
Rot. Bonds6

About N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide

N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide (PubChem CID 139622066) has the molecular formula C15H14FN3O6S and a molecular weight of 383.36 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
PubChem CID139622066
Molecular FormulaC15H14FN3O6S
Molecular Weight383.36 g/mol
Exact Mass383.06
IUPAC NameN-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1cc(NS(C)(=O)=O)c(Oc2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14FN3O6S/c1-9(20)17-11-7-12(18-26(2,23)24)15(8-13(11)19(21)22)25-14-6-4-3-5-10(14)16/h3-8,18H,1-2H3,(H,17,20)
InChIKeyAIBCKPBWYBMMNU-UHFFFAOYSA-N
XLogP2.86
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
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-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
CID 22406118
2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide
CID 15285981
N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide
CID 139715511
methyl 6-[5-(methanesulfonamido)-2-nitro-4-phenoxyanilino]-6-oxohexanoate
CID 139618763
N'-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]-N-pentyloxamide
CID 139635856
N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide
CID 139944390
N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide
CID 10786685
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
(4-acetamidonaphthalen-1-yl) 4-fluoro-3-nitrobenzenesulfonate
CID 100820691
1-(2-fluorophenoxy)-2,4-dinitrobenzene
CID 9212888
N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide
CID 166215260
N-(3-nitro-9-oxofluoren-2-yl)acetamide
CID 3623732

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide?
The IUPAC name of N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide (CID 139622066) is N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide?
The canonical SMILES for N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide is CC(=O)Nc1cc(NS(C)(=O)=O)c(Oc2ccccc2F)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide?
The InChIKey is AIBCKPBWYBMMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O6S/c1-9(20)17-11-7-12(18-26(2,23)24)15(8-13(11)19(21)22)25-14-6-4-3-5-10(14)16/h3-8,18H,1-2H3,(H,17,20).
What are the key properties of N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide?
N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide has a molecular weight of 383.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide is sourced from PubChem (CID 139622066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).