N,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide

C23H25NO4S — CID 39116515

IUPACN,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(OC)cc1C
InChIInChI=1S/C23H25NO4S/c1-18-14-22(28-3)23(15-21(18)27-2)29(25,26)24(16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h4-15H,16-17H2,1-3H3
InChIKeyRLBXPPZWVXIHJD-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.40
Rot. Bonds8

About N,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide

N,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide (PubChem CID 39116515) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is N,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide
PubChem CID39116515
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC NameN,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(OC)cc1C
InChIInChI=1S/C23H25NO4S/c1-18-14-22(28-3)23(15-21(18)27-2)29(25,26)24(16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h4-15H,16-17H2,1-3H3
InChIKeyRLBXPPZWVXIHJD-UHFFFAOYSA-N
XLogP4.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-Dimethoxybenzyl)-4-(phenylsulfonyl)piperazine
CID 1122528
N-benzyl-2,5-dimethoxybenzenesulfonamide
CID 741450
N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide
CID 1339330
1-(2-Methoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122338
2-[(2,5-Dimethoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 756352
1-(2,5-Dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine
CID 1106577
N,N-dibenzyl-2-methoxybenzenesulfonamide
CID 4803937
N-benzyl-6,9-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonamide
CID 44573165
4-[[(2-Hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride
CID 90656462
4-[2-[(2-Hydroxy-5-methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 90656468
3-N,3-N-dibenzyl-4-methoxybenzene-1,3-disulfonamide
CID 162645884
N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162661934

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide?
The IUPAC name of N,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide (CID 39116515) is N,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide?
The canonical SMILES for N,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide is COc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(OC)cc1C.
What is the InChIKey of N,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide?
The InChIKey is RLBXPPZWVXIHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-18-14-22(28-3)23(15-21(18)27-2)29(25,26)24(16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h4-15H,16-17H2,1-3H3.
What are the key properties of N,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide?
N,N-dibenzyl-2,5-dimethoxy-4-methylbenzenesulfonamide has a molecular weight of 411.52 g/mol, XLogP of 4.40, 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-dimethoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 39116515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).