4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide

C25H24Cl2N2O5S — CID 133165193

IUPAC4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H24Cl2N2O5S/c1-16(18-8-11-23-24(14-18)34-13-12-33-23)28-25(30)17-6-9-19(10-7-17)29(35(2,31)32)15-20-21(26)4-3-5-22(20)27/h3-11,14,16H,12-13,15H2,1-2H3,(H,28,30)
InChIKeyNNDYJEANVHHUBF-UHFFFAOYSA-N
MW535.45 g/mol
LogP5.22
Rot. Bonds7

About 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide

4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide (PubChem CID 133165193) has the molecular formula C25H24Cl2N2O5S and a molecular weight of 535.45 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
PubChem CID133165193
Molecular FormulaC25H24Cl2N2O5S
Molecular Weight535.45 g/mol
Exact Mass534.08
IUPAC Name4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H24Cl2N2O5S/c1-16(18-8-11-23-24(14-18)34-13-12-33-23)28-25(30)17-6-9-19(10-7-17)29(35(2,31)32)15-20-21(26)4-3-5-22(20)27/h3-11,14,16H,12-13,15H2,1-2H3,(H,28,30)
InChIKeyNNDYJEANVHHUBF-UHFFFAOYSA-N
XLogP5.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide with MolForge

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Related Compounds

4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92672055
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(4-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 125063811
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217977
3,4-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 55360682
3-chloro-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 94070209
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133165013
4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 69492654
4-bromo-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 6552812
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-iodobenzamide
CID 27839938
4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 95282978
4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 133165148
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methanesulfonamido)benzamide
CID 133230407

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?
The IUPAC name of 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide (CID 133165193) is 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide is CC(NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?
The InChIKey is NNDYJEANVHHUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O5S/c1-16(18-8-11-23-24(14-18)34-13-12-33-23)28-25(30)17-6-9-19(10-7-17)29(35(2,31)32)15-20-21(26)4-3-5-22(20)27/h3-11,14,16H,12-13,15H2,1-2H3,(H,28,30).
What are the key properties of 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide has a molecular weight of 535.45 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide is sourced from PubChem (CID 133165193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).