3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide

C16H19NO4S2 — CID 44609060

IUPAC3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide
SMILESCOCc1cc(S(N)(=O)=O)ccc1Oc1ccc(SC)c(C)c1
InChIInChI=1S/C16H19NO4S2/c1-11-8-13(4-7-16(11)22-3)21-15-6-5-14(23(17,18)19)9-12(15)10-20-2/h4-9H,10H2,1-3H3,(H2,17,18,19)
InChIKeyKGUMICCWLOGOHB-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.30
Rot. Bonds6

About 3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide

3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide (PubChem CID 44609060) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide
PubChem CID44609060
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC Name3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide
SMILESCOCc1cc(S(N)(=O)=O)ccc1Oc1ccc(SC)c(C)c1
InChIInChI=1S/C16H19NO4S2/c1-11-8-13(4-7-16(11)22-3)21-15-6-5-14(23(17,18)19)9-12(15)10-20-2/h4-9H,10H2,1-3H3,(H2,17,18,19)
InChIKeyKGUMICCWLOGOHB-UHFFFAOYSA-N
XLogP3.30
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methyl-4-methylsulfanylphenoxy)-3-(pyrrolidin-1-ylmethyl)benzenesulfonamide
CID 59143904
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide
CID 44609220
3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide
CID 44609848
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide
CID 44609221
2-(methoxymethyl)-1-(3-methyl-4-methylsulfanylphenoxy)-4-(sulfinoamino)benzene
CID 58129653
4-(3,4-dimethylphenoxy)-3-(methylaminomethyl)benzenesulfonamide
CID 44609064
sodium;diacetyloxyboranyl acetate;hydride;3-[(2-hydroxyethylamino)methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide;3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide
CID 159174221
4-(methoxymethyl)-3-methylbenzenesulfonamide
CID 83271766
3-[(dimethylamino)methyl]-4-(4-phenoxyphenoxy)benzenesulfonamide
CID 59143873
3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide
CID 63985144
4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide
CID 82900296
2-(methylaminomethyl)-1-(3-methyl-4-methylsulfanylphenoxy)-4-(sulfinatoamino)benzene
CID 58129642

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide?
The IUPAC name of 3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide (CID 44609060) is 3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide.
What is the SMILES notation for 3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide?
The canonical SMILES for 3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide is COCc1cc(S(N)(=O)=O)ccc1Oc1ccc(SC)c(C)c1.
What is the InChIKey of 3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide?
The InChIKey is KGUMICCWLOGOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-11-8-13(4-7-16(11)22-3)21-15-6-5-14(23(17,18)19)9-12(15)10-20-2/h4-9H,10H2,1-3H3,(H2,17,18,19).
What are the key properties of 3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide?
3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide has a molecular weight of 353.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide is sourced from PubChem (CID 44609060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).