4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide

C23H23Cl2N3O3S — CID 164861878

IUPAC4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide
SMILESCN(C)CC(NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H23Cl2N3O3S/c1-28(2)15-22(17-10-13-20(24)21(25)14-17)27-32(30,31)19-11-8-16(9-12-19)23(29)26-18-6-4-3-5-7-18/h3-14,22,27H,15H2,1-2H3,(H,26,29)
InChIKeySZMNYNMFVMBQPU-UHFFFAOYSA-N
MW492.43 g/mol
LogP4.83
Rot. Bonds8

About 4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide

4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide (PubChem CID 164861878) has the molecular formula C23H23Cl2N3O3S and a molecular weight of 492.43 g/mol. Its IUPAC name is 4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide
PubChem CID164861878
Molecular FormulaC23H23Cl2N3O3S
Molecular Weight492.43 g/mol
Exact Mass491.08
IUPAC Name4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide
SMILESCN(C)CC(NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H23Cl2N3O3S/c1-28(2)15-22(17-10-13-20(24)21(25)14-17)27-32(30,31)19-11-8-16(9-12-19)23(29)26-18-6-4-3-5-7-18/h3-14,22,27H,15H2,1-2H3,(H,26,29)
InChIKeySZMNYNMFVMBQPU-UHFFFAOYSA-N
XLogP4.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.43
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-phenoxybenzenesulfonamide
CID 164861909
N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 164861902
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide
CID 164862062
4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 164862511
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 164862084
N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-pentylbenzenesulfonamide
CID 164862329
4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 164861813
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164862402
N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]naphthalene-1-sulfonamide
CID 164862540
N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide
CID 171593382
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[2-[cyclopropyloxymethyl(methyl)amino]-1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 171593445

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide?
The IUPAC name of 4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide (CID 164861878) is 4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide is CN(C)CC(NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide?
The InChIKey is SZMNYNMFVMBQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3S/c1-28(2)15-22(17-10-13-20(24)21(25)14-17)27-32(30,31)19-11-8-16(9-12-19)23(29)26-18-6-4-3-5-7-18/h3-14,22,27H,15H2,1-2H3,(H,26,29).
What are the key properties of 4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide?
4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide has a molecular weight of 492.43 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide is sourced from PubChem (CID 164861878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).