N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide

C27H27ClN2O2S — CID 69449602

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide
SMILESCN(C)CCC(NS(=O)(=O)c1ccccc1-c1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C27H27ClN2O2S/c1-30(2)18-17-26(21-13-15-24(28)16-14-21)29-33(31,32)27-10-6-5-9-25(27)23-12-11-20-7-3-4-8-22(20)19-23/h3-16,19,26,29H,17-18H2,1-2H3
InChIKeyICTJGOVZLXTLAS-UHFFFAOYSA-N
MW479.05 g/mol
LogP6.13
Rot. Bonds8

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide (PubChem CID 69449602) has the molecular formula C27H27ClN2O2S and a molecular weight of 479.05 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide
PubChem CID69449602
Molecular FormulaC27H27ClN2O2S
Molecular Weight479.05 g/mol
Exact Mass478.15
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide
SMILESCN(C)CCC(NS(=O)(=O)c1ccccc1-c1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C27H27ClN2O2S/c1-30(2)18-17-26(21-13-15-24(28)16-14-21)29-33(31,32)27-10-6-5-9-25(27)23-12-11-20-7-3-4-8-22(20)19-23/h3-16,19,26,29H,17-18H2,1-2H3
InChIKeyICTJGOVZLXTLAS-UHFFFAOYSA-N
XLogP6.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.05
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide (CID 69449602) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide is CN(C)CCC(NS(=O)(=O)c1ccccc1-c1ccc2ccccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide?
The InChIKey is ICTJGOVZLXTLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O2S/c1-30(2)18-17-26(21-13-15-24(28)16-14-21)29-33(31,32)27-10-6-5-9-25(27)23-12-11-20-7-3-4-8-22(20)19-23/h3-16,19,26,29H,17-18H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide has a molecular weight of 479.05 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide is sourced from PubChem (CID 69449602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).