3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

C21H21Cl2N3O4S — CID 25374826

IUPAC3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCN(C)[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccco1
InChIInChI=1S/C21H21Cl2N3O4S/c1-26(2)19(20-7-4-10-30-20)13-24-21(27)14-5-3-6-15(11-14)25-31(28,29)16-8-9-17(22)18(23)12-16/h3-12,19,25H,13H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyYBMPLZQHCGUAIS-LJQANCHMSA-N
MW482.39 g/mol
LogP4.42
Rot. Bonds8

About 3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (PubChem CID 25374826) has the molecular formula C21H21Cl2N3O4S and a molecular weight of 482.39 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
PubChem CID25374826
Molecular FormulaC21H21Cl2N3O4S
Molecular Weight482.39 g/mol
Exact Mass481.06
IUPAC Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCN(C)[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccco1
InChIInChI=1S/C21H21Cl2N3O4S/c1-26(2)19(20-7-4-10-30-20)13-24-21(27)14-5-3-6-15(11-14)25-31(28,29)16-8-9-17(22)18(23)12-16/h3-12,19,25H,13H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyYBMPLZQHCGUAIS-LJQANCHMSA-N
XLogP4.42
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.39
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25496186
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24542683
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542679
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25353255
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55332159
3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24981861
3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
CID 51145107

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (CID 25374826) is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is CN(C)[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccco1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is YBMPLZQHCGUAIS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21Cl2N3O4S/c1-26(2)19(20-7-4-10-30-20)13-24-21(27)14-5-3-6-15(11-14)25-31(28,29)16-8-9-17(22)18(23)12-16/h3-12,19,25H,13H2,1-2H3,(H,24,27)/t19-/m1/s1.
What are the key properties of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 482.39 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 25374826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).