N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide

C22H23NO4S — CID 1339330

IUPACN,N-dibenzyl-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H23NO4S/c1-26-20-13-14-21(27-2)22(15-20)28(24,25)23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3
InChIKeyFSHLWHIBFAXNTQ-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.09
Rot. Bonds8

About N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide

N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide (PubChem CID 1339330) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-2,5-dimethoxybenzenesulfonamide
PubChem CID1339330
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN,N-dibenzyl-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H23NO4S/c1-26-20-13-14-21(27-2)22(15-20)28(24,25)23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3
InChIKeyFSHLWHIBFAXNTQ-UHFFFAOYSA-N
XLogP4.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide (CID 1339330) is N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide?
The InChIKey is FSHLWHIBFAXNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-26-20-13-14-21(27-2)22(15-20)28(24,25)23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3.
What are the key properties of N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide?
N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 1339330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).