N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide

C17H19ClN2O3S — CID 22300743

IUPACN-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CNS(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O3S/c1-20(12-14-6-3-2-4-7-14)17(21)11-19-24(22,23)13-15-8-5-9-16(18)10-15/h2-10,19H,11-13H2,1H3
InChIKeyZXHFFGFFPFXIIY-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.42
Rot. Bonds7

About N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide

N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide (PubChem CID 22300743) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
PubChem CID22300743
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CNS(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O3S/c1-20(12-14-6-3-2-4-7-14)17(21)11-19-24(22,23)13-15-8-5-9-16(18)10-15/h2-10,19H,11-13H2,1H3
InChIKeyZXHFFGFFPFXIIY-UHFFFAOYSA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(2-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300498
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60687586
N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide
CID 110409524
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 1203987
N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760071
N-benzyl-N-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112992433
N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55349042
2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 61117260
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992432
2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695230
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide (CID 22300743) is N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CNS(=O)(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide?
The InChIKey is ZXHFFGFFPFXIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-20(12-14-6-3-2-4-7-14)17(21)11-19-24(22,23)13-15-8-5-9-16(18)10-15/h2-10,19H,11-13H2,1H3.
What are the key properties of N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide?
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide has a molecular weight of 366.87 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide is sourced from PubChem (CID 22300743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).