N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide

C17H18BrClFN3O3S — CID 166493197

IUPACN-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide
SMILESCN(C)CNS(=O)(=O)c1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1Br
InChIInChI=1S/C17H18BrClFN3O3S/c1-23(2)10-21-27(25,26)16-9-13(5-6-14(16)18)22-17(24)7-11-3-4-12(20)8-15(11)19/h3-6,8-9,21H,7,10H2,1-2H3,(H,22,24)
InChIKeyVIFDFTAQFORLKZ-UHFFFAOYSA-N
MW478.77 g/mol
LogP3.22
Rot. Bonds7

About N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide

N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide (PubChem CID 166493197) has the molecular formula C17H18BrClFN3O3S and a molecular weight of 478.77 g/mol. Its IUPAC name is N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide
PubChem CID166493197
Molecular FormulaC17H18BrClFN3O3S
Molecular Weight478.77 g/mol
Exact Mass476.99
IUPAC NameN-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide
SMILESCN(C)CNS(=O)(=O)c1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1Br
InChIInChI=1S/C17H18BrClFN3O3S/c1-23(2)10-21-27(25,26)16-9-13(5-6-14(16)18)22-17(24)7-11-3-4-12(20)8-15(11)19/h3-6,8-9,21H,7,10H2,1-2H3,(H,22,24)
InChIKeyVIFDFTAQFORLKZ-UHFFFAOYSA-N
XLogP3.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.77
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-fluorophenyl)-N-(4-ethyl-3-methyl-5-sulfamoylphenyl)acetamide
CID 167215417
2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide
CID 164596527
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
2-(2,4-dichlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 42965042
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 46611276
potassium;N-[4-bromo-3-(dimethylaminomethylideneamino)sulfonylphenyl]-2-(2-chlorophenyl)acetamide;hydride;hydrochloride
CID 175573050
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693
2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973114
N-[3-aminosulfanyl-4-[(4-fluorophenoxy)methyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide
CID 167200778
2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
CID 162428281
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 2210102

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide?
The IUPAC name of N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide (CID 166493197) is N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide is CN(C)CNS(=O)(=O)c1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1Br.
What is the InChIKey of N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide?
The InChIKey is VIFDFTAQFORLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN3O3S/c1-23(2)10-21-27(25,26)16-9-13(5-6-14(16)18)22-17(24)7-11-3-4-12(20)8-15(11)19/h3-6,8-9,21H,7,10H2,1-2H3,(H,22,24).
What are the key properties of N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide?
N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide has a molecular weight of 478.77 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-[(dimethylamino)methylsulfamoyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 166493197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).