N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide

C27H34N2O4S — CID 25072280

IUPACN,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide
SMILESCOCCN(CCOC)Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C27H34N2O4S/c1-32-19-17-28(18-20-33-2)21-26-13-15-27(16-14-26)34(30,31)29(22-24-9-5-3-6-10-24)23-25-11-7-4-8-12-25/h3-16H,17-23H2,1-2H3
InChIKeyNQRMPNMNSITKAB-UHFFFAOYSA-N
MW482.65 g/mol
LogP4.17
Rot. Bonds14

About N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide

N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide (PubChem CID 25072280) has the molecular formula C27H34N2O4S and a molecular weight of 482.65 g/mol. Its IUPAC name is N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide
PubChem CID25072280
Molecular FormulaC27H34N2O4S
Molecular Weight482.65 g/mol
Exact Mass482.22
IUPAC NameN,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide
SMILESCOCCN(CCOC)Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C27H34N2O4S/c1-32-19-17-28(18-20-33-2)21-26-13-15-27(16-14-26)34(30,31)29(22-24-9-5-3-6-10-24)23-25-11-7-4-8-12-25/h3-16H,17-23H2,1-2H3
InChIKeyNQRMPNMNSITKAB-UHFFFAOYSA-N
XLogP4.17
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
[4-[[benzenesulfonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate
CID 4210374
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 65482217
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 65481019
[3-[[benzenesulfonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate
CID 4107032

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide?
The IUPAC name of N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide (CID 25072280) is N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide is COCCN(CCOC)Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide?
The InChIKey is NQRMPNMNSITKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4S/c1-32-19-17-28(18-20-33-2)21-26-13-15-27(16-14-26)34(30,31)29(22-24-9-5-3-6-10-24)23-25-11-7-4-8-12-25/h3-16H,17-23H2,1-2H3.
What are the key properties of N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide?
N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide has a molecular weight of 482.65 g/mol, XLogP of 4.17, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 25072280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).