2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide

C17H19ClFN3O3S — CID 17408314

IUPAC2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClFN3O3S/c1-21(2)14-7-5-13(6-8-14)20-17(23)11-22(26(3,24)25)16-9-4-12(18)10-15(16)19/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyRBVUTICVIBGXRJ-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.95
Rot. Bonds6

About 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide

2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 17408314) has the molecular formula C17H19ClFN3O3S and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID17408314
Molecular FormulaC17H19ClFN3O3S
Molecular Weight399.88 g/mol
Exact Mass399.08
IUPAC Name2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClFN3O3S/c1-21(2)14-7-5-13(6-8-14)20-17(23)11-22(26(3,24)25)16-9-4-12(18)10-15(16)19/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyRBVUTICVIBGXRJ-UHFFFAOYSA-N
XLogP2.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 113156818
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-2-fluoro-N-methylsulfonylanilino)acetamide
CID 17433498
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 5036589
N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51343114
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157541
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 113156893
N-(3,5-dichlorophenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 9173126

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide (CID 17408314) is 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is RBVUTICVIBGXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O3S/c1-21(2)14-7-5-13(6-8-14)20-17(23)11-22(26(3,24)25)16-9-4-12(18)10-15(16)19/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide?
2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 399.88 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 17408314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).