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

C16H15Cl2FN2O3S — CID 4816152

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2FN2O3S/c1-21(25(23,24)15-8-12(17)4-7-14(15)18)10-16(22)20-9-11-2-5-13(19)6-3-11/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyVRDBVLXJAAAGGH-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.07
Rot. Bonds6

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

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4816152) has the molecular formula C16H15Cl2FN2O3S and a molecular weight of 405.28 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4816152
Molecular FormulaC16H15Cl2FN2O3S
Molecular Weight405.28 g/mol
Exact Mass404.02
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2FN2O3S/c1-21(25(23,24)15-8-12(17)4-7-14(15)18)10-16(22)20-9-11-2-5-13(19)6-3-11/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyVRDBVLXJAAAGGH-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28545720
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874576
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 45374381
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266
N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
CID 126012482
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7937663
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2548931
2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2522121
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 1315364
2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679062

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 4816152) is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide is CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is VRDBVLXJAAAGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O3S/c1-21(25(23,24)15-8-12(17)4-7-14(15)18)10-16(22)20-9-11-2-5-13(19)6-3-11/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 405.28 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4816152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).