2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

C16H17ClFN3O3S — CID 9099689

IUPAC2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H17ClFN3O3S/c1-21(2)25(23,24)13-6-4-12(5-7-13)20-16(22)10-19-15-8-3-11(17)9-14(15)18/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyBZBZAFLESMRKNY-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.78
Rot. Bonds6

About 2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 9099689) has the molecular formula C16H17ClFN3O3S and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID9099689
Molecular FormulaC16H17ClFN3O3S
Molecular Weight385.85 g/mol
Exact Mass385.07
IUPAC Name2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H17ClFN3O3S/c1-21(2)25(23,24)13-6-4-12(5-7-13)20-16(22)10-19-15-8-3-11(17)9-14(15)18/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyBZBZAFLESMRKNY-UHFFFAOYSA-N
XLogP2.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4789173
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
CID 9099675
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide
CID 26438400
2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 42125792
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
N-(4-chlorophenyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 9100739
N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100477

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 9099689) is 2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is BZBZAFLESMRKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O3S/c1-21(2)25(23,24)13-6-4-12(5-7-13)20-16(22)10-19-15-8-3-11(17)9-14(15)18/h3-9,19H,10H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 385.85 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 9099689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).