N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide

C19H26N2O4S2 — CID 90121532

IUPACN,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)CS(=O)(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C19H26N2O4S2/c1-3-20(15-18-11-7-5-8-12-18)26(22,23)17-27(24,25)21(4-2)16-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKeyQTZPOKMIUQHWEH-UHFFFAOYSA-N
MW410.56 g/mol
LogP2.65
Rot. Bonds10

About N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide

N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide (PubChem CID 90121532) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide.

Molecular Properties

Compound NameN,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
PubChem CID90121532
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC NameN,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)CS(=O)(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C19H26N2O4S2/c1-3-20(15-18-11-7-5-8-12-18)26(22,23)17-27(24,25)21(4-2)16-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKeyQTZPOKMIUQHWEH-UHFFFAOYSA-N
XLogP2.65
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N,N-dibenzylpropane-1-sulfonamide
CID 60642874
N-benzyl-N-ethylethenesulfonamide
CID 130543897
N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide
CID 110410492
2-[benzyl(ethyl)sulfamoyl]propanoic acid
CID 54947324
N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
CID 61013839
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N,N-dibenzyl-1-chloromethanesulfonamide
CID 63666157
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
sodium N,N-dibenzylsulfamate
CID 141380855
N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide
CID 58736718

Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide?
The IUPAC name of N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide (CID 90121532) is N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide.
What is the SMILES notation for N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide?
The canonical SMILES for N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide is CCN(Cc1ccccc1)S(=O)(=O)CS(=O)(=O)N(CC)Cc1ccccc1.
What is the InChIKey of N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide?
The InChIKey is QTZPOKMIUQHWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-3-20(15-18-11-7-5-8-12-18)26(22,23)17-27(24,25)21(4-2)16-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3.
What are the key properties of N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide?
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide has a molecular weight of 410.56 g/mol, XLogP of 2.65, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide is sourced from PubChem (CID 90121532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).