N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide

C22H23NO5S2 — CID 25044228

IUPACN-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2ccccc2Sc2ccccc2CO)c1
InChIInChI=1S/C22H23NO5S2/c1-27-18-11-12-19(28-2)22(13-18)30(25,26)23-14-16-7-3-5-9-20(16)29-21-10-6-4-8-17(21)15-24/h3-13,23-24H,14-15H2,1-2H3
InChIKeyJBEJODGMARYZLB-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.83
Rot. Bonds9

About N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide

N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 25044228) has the molecular formula C22H23NO5S2 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID25044228
Molecular FormulaC22H23NO5S2
Molecular Weight445.56 g/mol
Exact Mass445.10
IUPAC NameN-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2ccccc2Sc2ccccc2CO)c1
InChIInChI=1S/C22H23NO5S2/c1-27-18-11-12-19(28-2)22(13-18)30(25,26)23-14-16-7-3-5-9-20(16)29-21-10-6-4-8-17(21)15-24/h3-13,23-24H,14-15H2,1-2H3
InChIKeyJBEJODGMARYZLB-UHFFFAOYSA-N
XLogP3.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 27665440
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
CID 66175426
N-(3-hydroxy-2,2-dimethylpropyl)-2,5-dimethoxybenzenesulfonamide
CID 3771736
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 90497578
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664736

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide (CID 25044228) is N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2Sc2ccccc2CO)c1.
What is the InChIKey of N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is JBEJODGMARYZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5S2/c1-27-18-11-12-19(28-2)22(13-18)30(25,26)23-14-16-7-3-5-9-20(16)29-21-10-6-4-8-17(21)15-24/h3-13,23-24H,14-15H2,1-2H3.
What are the key properties of N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide?
N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 445.56 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 25044228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).