N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide

C15H12Cl3FN2O3S — CID 45374381

IUPACN-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl3FN2O3S/c1-21(25(23,24)14-6-9(16)2-4-11(14)17)8-15(22)20-10-3-5-13(19)12(18)7-10/h2-7H,8H2,1H3,(H,20,22)
InChIKeyDOYLXQQUYKXAQP-UHFFFAOYSA-N
MW425.70 g/mol
LogP4.05
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 45374381) has the molecular formula C15H12Cl3FN2O3S and a molecular weight of 425.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID45374381
Molecular FormulaC15H12Cl3FN2O3S
Molecular Weight425.70 g/mol
Exact Mass423.96
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl3FN2O3S/c1-21(25(23,24)14-6-9(16)2-4-11(14)17)8-15(22)20-10-3-5-13(19)12(18)7-10/h2-7H,8H2,1H3,(H,20,22)
InChIKeyDOYLXQQUYKXAQP-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.70
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 17027740
N-(3,4-dichlorophenyl)-2-[(3,4-difluorophenyl)sulfonyl-methylamino]acetamide
CID 30329958
2-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 34035829
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1022058
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
CID 16583536
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 45373445
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113152949
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4816152
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 24677998
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 1315364
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 46418498
N-(3,4-dichlorophenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35303305

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide (CID 45374381) is N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is DOYLXQQUYKXAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3FN2O3S/c1-21(25(23,24)14-6-9(16)2-4-11(14)17)8-15(22)20-10-3-5-13(19)12(18)7-10/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 425.70 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 45374381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).