N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide

C17H18Cl2N2O3S — CID 69181872

IUPACN-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12(22)20-11-13-5-7-15(8-6-13)21-25(23,24)10-9-14-3-2-4-16(18)17(14)19/h2-8,21H,9-11H2,1H3,(H,20,22)
InChIKeyRAHQYEFQGDKUNY-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.61
Rot. Bonds7

About N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide

N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide (PubChem CID 69181872) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide
PubChem CID69181872
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC NameN-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12(22)20-11-13-5-7-15(8-6-13)21-25(23,24)10-9-14-3-2-4-16(18)17(14)19/h2-8,21H,9-11H2,1H3,(H,20,22)
InChIKeyRAHQYEFQGDKUNY-UHFFFAOYSA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11270075
N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide
CID 46227072
N-(2-(3,4-Dichlorophenylamino)ethyl)-3-(4-(methylsulfonamido)phenyl)propanamide
CID 46227092
N-(3,4-Dichlorocinnamyl)-3-(4-(methylsulfonamido)-phenyl)propanamide
CID 46227102
N-(3-Chloro-4-methyl-phenyl)-2-[(3-phenyl-propylcarbamoyl)-methanesulfinyl]-acetamide
CID 3226830
2-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 25161920
N-[2-(3,4-dichlorophenyl)ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide
CID 46226990
N-(4-butylphenyl)-1-[(2-chlorobenzyl)sulfonyl]piperidine-4-carboxamide
CID 17744209
Cambridge id 6763469
CID 1316245
Cambridge id 6172571
CID 2889239
1-(2-chlorophenyl)-N-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}methanesulfonamide
CID 25890072
2-{4-[(4-chlorophenyl)methanesulfonamido]phenyl}-N-methylacetamide
CID 25891271

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide (CID 69181872) is N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide is CC(=O)NCc1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide?
The InChIKey is RAHQYEFQGDKUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-12(22)20-11-13-5-7-15(8-6-13)21-25(23,24)10-9-14-3-2-4-16(18)17(14)19/h2-8,21H,9-11H2,1H3,(H,20,22).
What are the key properties of N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide?
N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide has a molecular weight of 401.32 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 69181872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).