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

C27H27ClN2O2S — CID 69449595

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide
SMILESCN(C)CCC(NS(=O)(=O)c1ccccc1-c1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C27H27ClN2O2S/c1-30(2)19-18-26(21-14-16-22(28)17-15-21)29-33(31,32)27-13-6-5-11-25(27)24-12-7-9-20-8-3-4-10-23(20)24/h3-17,26,29H,18-19H2,1-2H3
InChIKeyLKKPCPWFRDCANO-UHFFFAOYSA-N
MW479.05 g/mol
LogP6.13
Rot. Bonds8

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

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide (PubChem CID 69449595) 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-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide
PubChem CID69449595
Molecular FormulaC27H27ClN2O2S
Molecular Weight479.05 g/mol
Exact Mass478.15
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide
SMILESCN(C)CCC(NS(=O)(=O)c1ccccc1-c1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C27H27ClN2O2S/c1-30(2)19-18-26(21-14-16-22(28)17-15-21)29-33(31,32)27-13-6-5-11-25(27)24-12-7-9-20-8-3-4-10-23(20)24/h3-17,26,29H,18-19H2,1-2H3
InChIKeyLKKPCPWFRDCANO-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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Related Compounds

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide
CID 69449602
3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 139827869
N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]naphthalene-1-sulfonamide
CID 164862540
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110278495
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110278494
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307
4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide
CID 25358097
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide
CID 24953762
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylbenzamide
CID 24953415
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide
CID 10278474

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide (CID 69449595) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide is CN(C)CCC(NS(=O)(=O)c1ccccc1-c1cccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is LKKPCPWFRDCANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O2S/c1-30(2)19-18-26(21-14-16-22(28)17-15-21)29-33(31,32)27-13-6-5-11-25(27)24-12-7-9-20-8-3-4-10-23(20)24/h3-17,26,29H,18-19H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-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-1-ylbenzenesulfonamide is sourced from PubChem (CID 69449595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).