N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide

C16H15ClFN3O6S — CID 4810421

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H15ClFN3O6S/c1-20(2)28(25,26)11-4-5-12(17)13(8-11)19-16(22)9-27-15-7-10(18)3-6-14(15)21(23)24/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyZSRROBMAQDMBCF-UHFFFAOYSA-N
MW431.83 g/mol
LogP2.66
Rot. Bonds7

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 4810421) has the molecular formula C16H15ClFN3O6S and a molecular weight of 431.83 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID4810421
Molecular FormulaC16H15ClFN3O6S
Molecular Weight431.83 g/mol
Exact Mass431.04
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H15ClFN3O6S/c1-20(2)28(25,26)11-4-5-12(17)13(8-11)19-16(22)9-27-15-7-10(18)3-6-14(15)21(23)24/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyZSRROBMAQDMBCF-UHFFFAOYSA-N
XLogP2.66
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.83
LogP ≤ 52.66
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

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7817850
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 16958828
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846258
2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide
CID 4841472
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,4-difluorophenyl)acetamide
CID 5134545
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 4611431
2-(4-chloro-2-nitrophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 7979740
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 3985158
2-(5-fluoro-2-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2565697

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 4810421) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is ZSRROBMAQDMBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O6S/c1-20(2)28(25,26)11-4-5-12(17)13(8-11)19-16(22)9-27-15-7-10(18)3-6-14(15)21(23)24/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 431.83 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 4810421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).