[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium

C18H25N2O4S+ — CID 3431498

IUPAC[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium
SMILESCOc1ccccc1N(CC(O)C[NH+](C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N2O4S/c1-19(2)13-15(21)14-20(17-11-7-8-12-18(17)24-3)25(22,23)16-9-5-4-6-10-16/h4-12,15,21H,13-14H2,1-3H3/p+1
InChIKeyNABFGWBKTOGFEG-UHFFFAOYSA-O
MW365.48 g/mol
LogP0.40
Rot. Bonds8

About [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium

[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium (PubChem CID 3431498) has the molecular formula C18H25N2O4S+ and a molecular weight of 365.48 g/mol. Its IUPAC name is [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium.

Molecular Properties

Compound Name[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium
PubChem CID3431498
Molecular FormulaC18H25N2O4S+
Molecular Weight365.48 g/mol
Exact Mass365.15
IUPAC Name[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium
SMILESCOc1ccccc1N(CC(O)C[NH+](C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N2O4S/c1-19(2)13-15(21)14-20(17-11-7-8-12-18(17)24-3)25(22,23)16-9-5-4-6-10-16/h4-12,15,21H,13-14H2,1-3H3/p+1
InChIKeyNABFGWBKTOGFEG-UHFFFAOYSA-O
XLogP0.40
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium 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

[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium chloride
CID 44657756
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-bis(2-methylpropyl)azanium chloride
CID 44657317
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 4598465
N-[3-(dibutylamino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3715769
N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 16801172
N-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 6964073
N-[3-(4-bromo-N-methylsulfonylanilino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 45127373
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 3152323
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 1125478
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 6549429
N-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 1149874
N-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 1367443

Frequently Asked Questions

What is the IUPAC name of [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium?
The IUPAC name of [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium (CID 3431498) is [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium.
What is the SMILES notation for [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium?
The canonical SMILES for [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium is COc1ccccc1N(CC(O)C[NH+](C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium?
The InChIKey is NABFGWBKTOGFEG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24N2O4S/c1-19(2)13-15(21)14-20(17-11-7-8-12-18(17)24-3)25(22,23)16-9-5-4-6-10-16/h4-12,15,21H,13-14H2,1-3H3/p+1.
What are the key properties of [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium?
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium has a molecular weight of 365.48 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium is sourced from PubChem (CID 3431498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).