2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide

C12H17Cl2N3O3S — CID 112991491

IUPAC2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N3O3S/c1-17(2)6-5-15-12(18)8-16-21(19,20)9-3-4-10(13)11(14)7-9/h3-4,7,16H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyXVXDZMRORNSWRJ-UHFFFAOYSA-N
MW354.26 g/mol
LogP0.95
Rot. Bonds7

About 2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide

2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 112991491) has the molecular formula C12H17Cl2N3O3S and a molecular weight of 354.26 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID112991491
Molecular FormulaC12H17Cl2N3O3S
Molecular Weight354.26 g/mol
Exact Mass353.04
IUPAC Name2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N3O3S/c1-17(2)6-5-15-12(18)8-16-21(19,20)9-3-4-10(13)11(14)7-9/h3-4,7,16H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyXVXDZMRORNSWRJ-UHFFFAOYSA-N
XLogP0.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 112991642
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 112991498
N-[2-(dimethylamino)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112991485
N-[3-(dimethylamino)propyl]-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112991641
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide
CID 112991633
methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate
CID 99639450
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112991615
N-(1-adamantylmethyl)-2-[(3,4-dichlorophenyl)sulfonylamino]acetamide
CID 4840253
N-(3,4-dichlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 34735877
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991518
2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide
CID 54895536
N-[2-(dimethylamino)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 112991494

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide (CID 112991491) is 2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is XVXDZMRORNSWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O3S/c1-17(2)6-5-15-12(18)8-16-21(19,20)9-3-4-10(13)11(14)7-9/h3-4,7,16H,5-6,8H2,1-2H3,(H,15,18).
What are the key properties of 2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide?
2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 354.26 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 112991491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).