N,N-dibenzylpropane-1-sulfonamide

C17H21NO2S — CID 60642874

IUPACN,N-dibenzylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H21NO2S/c1-2-13-21(19,20)18(14-16-9-5-3-6-10-16)15-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyKPXNHIBEMUADFS-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.43
Rot. Bonds7

About N,N-dibenzylpropane-1-sulfonamide

N,N-dibenzylpropane-1-sulfonamide (PubChem CID 60642874) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N,N-dibenzylpropane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dibenzylpropane-1-sulfonamide
PubChem CID60642874
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN,N-dibenzylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H21NO2S/c1-2-13-21(19,20)18(14-16-9-5-3-6-10-16)15-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKeyKPXNHIBEMUADFS-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(propyl)sulfamoyl]propanoic acid
CID 43362028
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
4-[benzyl(propyl)sulfamoyl]butanoic acid
CID 43173076
N,N-dibenzyl-1-chloromethanesulfonamide
CID 63666157
N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide
CID 43458794
2-[3-[[(4-butylphenyl)methyl-propylsulfonylamino]methyl]phenyl]acetic acid
CID 22246825
N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide
CID 110410492
N,N-dimethyl-1-phenylmethanamine;propane-1-sulfonic acid
CID 173055418
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide
CID 64592151
N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride
CID 120584154
2-[(4-aminophenyl)methyl-propylsulfonylamino]acetamide
CID 43461085

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzylpropane-1-sulfonamide?
The IUPAC name of N,N-dibenzylpropane-1-sulfonamide (CID 60642874) is N,N-dibenzylpropane-1-sulfonamide.
What is the SMILES notation for N,N-dibenzylpropane-1-sulfonamide?
The canonical SMILES for N,N-dibenzylpropane-1-sulfonamide is CCCS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzylpropane-1-sulfonamide?
The InChIKey is KPXNHIBEMUADFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-2-13-21(19,20)18(14-16-9-5-3-6-10-16)15-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3.
What are the key properties of N,N-dibenzylpropane-1-sulfonamide?
N,N-dibenzylpropane-1-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzylpropane-1-sulfonamide is sourced from PubChem (CID 60642874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).