N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide

C16H17F2N3O3S — CID 9084347

IUPACN-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2N3O3S/c1-21(2)25(23,24)13-5-3-4-11(8-13)19-10-16(22)20-12-6-7-14(17)15(18)9-12/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyHVNOXKCAVQVDHT-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.27
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide

N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide (PubChem CID 9084347) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
PubChem CID9084347
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC NameN-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NCC(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2N3O3S/c1-21(2)25(23,24)13-5-3-4-11(8-13)19-10-16(22)20-12-6-7-14(17)15(18)9-12/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyHVNOXKCAVQVDHT-UHFFFAOYSA-N
XLogP2.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 42125792
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 37229754
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9044613
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777
2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide
CID 9084353
2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
CID 112799800
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253307

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide (CID 9084347) is N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide is CN(C)S(=O)(=O)c1cccc(NCC(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide?
The InChIKey is HVNOXKCAVQVDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-21(2)25(23,24)13-5-3-4-11(8-13)19-10-16(22)20-12-6-7-14(17)15(18)9-12/h3-9,19H,10H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide?
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide has a molecular weight of 369.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 9084347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).