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

C23H23Cl2N3O3S — CID 69184891

IUPACN-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide
SMILESNCc1ccc(CNC(=O)c2ccc(NS(=O)(=O)CCc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C23H23Cl2N3O3S/c24-21-3-1-2-18(22(21)25)12-13-32(30,31)28-20-10-8-19(9-11-20)23(29)27-15-17-6-4-16(14-26)5-7-17/h1-11,28H,12-15,26H2,(H,27,29)
InChIKeyRIRNUIMZHNLERV-UHFFFAOYSA-N
MW492.43 g/mol
LogP4.37
Rot. Bonds9

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

N-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide (PubChem CID 69184891) has the molecular formula C23H23Cl2N3O3S and a molecular weight of 492.43 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide
PubChem CID69184891
Molecular FormulaC23H23Cl2N3O3S
Molecular Weight492.43 g/mol
Exact Mass491.08
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide
SMILESNCc1ccc(CNC(=O)c2ccc(NS(=O)(=O)CCc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C23H23Cl2N3O3S/c24-21-3-1-2-18(22(21)25)12-13-32(30,31)28-20-10-8-19(9-11-20)23(29)27-15-17-6-4-16(14-26)5-7-17/h1-11,28H,12-15,26H2,(H,27,29)
InChIKeyRIRNUIMZHNLERV-UHFFFAOYSA-N
XLogP4.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.43
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 69182395
4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[4-(methylcarbamoylamino)butyl]benzamide
CID 69181137
4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 69185833
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
[4-[[4-[3-(2-chlorophenyl)propanoylamino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931397
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 38585146
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide (CID 69184891) is N-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide is NCc1ccc(CNC(=O)c2ccc(NS(=O)(=O)CCc3cccc(Cl)c3Cl)cc2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide?
The InChIKey is RIRNUIMZHNLERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3S/c24-21-3-1-2-18(22(21)25)12-13-32(30,31)28-20-10-8-19(9-11-20)23(29)27-15-17-6-4-16(14-26)5-7-17/h1-11,28H,12-15,26H2,(H,27,29).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide?
N-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide has a molecular weight of 492.43 g/mol, XLogP of 4.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide is sourced from PubChem (CID 69184891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).