N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide

C26H32N2O2S — CID 113232614

IUPACN,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide
SMILESCCCNC(CC)c1cccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C26H32N2O2S/c1-3-18-27-26(4-2)24-16-11-17-25(19-24)31(29,30)28(20-22-12-7-5-8-13-22)21-23-14-9-6-10-15-23/h5-17,19,26-27H,3-4,18,20-21H2,1-2H3
InChIKeyCAVZCNWBCFZHSZ-UHFFFAOYSA-N
MW436.62 g/mol
LogP5.53
Rot. Bonds11

About N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide

N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide (PubChem CID 113232614) has the molecular formula C26H32N2O2S and a molecular weight of 436.62 g/mol. Its IUPAC name is N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide
PubChem CID113232614
Molecular FormulaC26H32N2O2S
Molecular Weight436.62 g/mol
Exact Mass436.22
IUPAC NameN,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide
SMILESCCCNC(CC)c1cccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C26H32N2O2S/c1-3-18-27-26(4-2)24-16-11-17-25(19-24)31(29,30)28(20-22-12-7-5-8-13-22)21-23-14-9-6-10-15-23/h5-17,19,26-27H,3-4,18,20-21H2,1-2H3
InChIKeyCAVZCNWBCFZHSZ-UHFFFAOYSA-N
XLogP5.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.62
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60873037
N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 113228610
N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
CID 59826387
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869
1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine
CID 63424575
N'-(1-phenylpropyl)-N-propylethane-1,2-diamine
CID 54810053
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255
N-methyl-3-[[[(1S)-1-phenylpropyl]amino]methyl]benzenesulfonamide
CID 95624419
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide?
The IUPAC name of N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide (CID 113232614) is N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide is CCCNC(CC)c1cccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide?
The InChIKey is CAVZCNWBCFZHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2S/c1-3-18-27-26(4-2)24-16-11-17-25(19-24)31(29,30)28(20-22-12-7-5-8-13-22)21-23-14-9-6-10-15-23/h5-17,19,26-27H,3-4,18,20-21H2,1-2H3.
What are the key properties of N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide?
N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide has a molecular weight of 436.62 g/mol, XLogP of 5.53, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-[1-(propylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 113232614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).