N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide

C15H12Cl2F2N2O3S — CID 30329958

IUPACN-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12Cl2F2N2O3S/c1-21(25(23,24)10-3-5-13(18)14(19)7-10)8-15(22)20-9-2-4-11(16)12(17)6-9/h2-7H,8H2,1H3,(H,20,22)
InChIKeyALTFNHJPVWLQEM-UHFFFAOYSA-N
MW409.24 g/mol
LogP3.53
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide

N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 30329958) has the molecular formula C15H12Cl2F2N2O3S and a molecular weight of 409.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID30329958
Molecular FormulaC15H12Cl2F2N2O3S
Molecular Weight409.24 g/mol
Exact Mass407.99
IUPAC NameN-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12Cl2F2N2O3S/c1-21(25(23,24)10-3-5-13(18)14(19)7-10)8-15(22)20-9-2-4-11(16)12(17)6-9/h2-7H,8H2,1H3,(H,20,22)
InChIKeyALTFNHJPVWLQEM-UHFFFAOYSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 45374381
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 28546084
N-(3,4-dichlorophenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35303305
2-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 34035829
N-(3-chloro-4-methylphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 20889188
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 27364864
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
N-(3-chloro-4-fluorophenyl)-2-(N-methyl-4-methylsulfonylanilino)acetamide
CID 47075268
N-(3,4-dichlorophenyl)-2-[diethylsulfamoyl(methyl)amino]acetamide
CID 31070757
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26835965
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide (CID 30329958) is N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is ALTFNHJPVWLQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2N2O3S/c1-21(25(23,24)10-3-5-13(18)14(19)7-10)8-15(22)20-9-2-4-11(16)12(17)6-9/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide?
N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 409.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 30329958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).