5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride

C20H29ClN2O6S — CID 23347187

IUPAC5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCOc1cccc(OCC(C)NCC(O)c2ccc(C)c(S(N)(=O)=O)c2)c1OC.Cl
InChIInChI=1S/C20H28N2O6S.ClH/c1-13-8-9-15(10-19(13)29(21,24)25)16(23)11-22-14(2)12-28-18-7-5-6-17(26-3)20(18)27-4;/h5-10,14,16,22-23H,11-12H2,1-4H3,(H2,21,24,25);1H
InChIKeyRPTYOYVJXCKRFQ-UHFFFAOYSA-N
MW460.98 g/mol
LogP2.17
Rot. Bonds10

About 5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride

5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 23347187) has the molecular formula C20H29ClN2O6S and a molecular weight of 460.98 g/mol. Its IUPAC name is 5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
PubChem CID23347187
Molecular FormulaC20H29ClN2O6S
Molecular Weight460.98 g/mol
Exact Mass460.14
IUPAC Name5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCOc1cccc(OCC(C)NCC(O)c2ccc(C)c(S(N)(=O)=O)c2)c1OC.Cl
InChIInChI=1S/C20H28N2O6S.ClH/c1-13-8-9-15(10-19(13)29(21,24)25)16(23)11-22-14(2)12-28-18-7-5-6-17(26-3)20(18)27-4;/h5-10,14,16,22-23H,11-12H2,1-4H3,(H2,21,24,25);1H
InChIKeyRPTYOYVJXCKRFQ-UHFFFAOYSA-N
XLogP2.17
TPSA120.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.98
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride 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

5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 23347166
5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 57269617
5-[3-amino-1-hydroxy-4-(2-methoxyphenoxy)butyl]-2-methylbenzenesulfonamide;hydrochloride
CID 70494607
2-(aminomethyl)-4-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]phenol
CID 163864065
4-[1-hydroxy-2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide
CID 23615563
5-[1-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)butan-2-ylamino]ethyl]-2-methoxybenzenesulfonamide;hydrochloride
CID 23347178
5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 22852732
2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide
CID 13106303
5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide
CID 22852735
2,3-dimethoxybenzenesulfonamide;hydrochloride
CID 142896136
(E)-3-(2,3-dimethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140940
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride (CID 23347187) is 5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride is COc1cccc(OCC(C)NCC(O)c2ccc(C)c(S(N)(=O)=O)c2)c1OC.Cl.
What is the InChIKey of 5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is RPTYOYVJXCKRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S.ClH/c1-13-8-9-15(10-19(13)29(21,24)25)16(23)11-22-14(2)12-28-18-7-5-6-17(26-3)20(18)27-4;/h5-10,14,16,22-23H,11-12H2,1-4H3,(H2,21,24,25);1H.
What are the key properties of 5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride?
5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 460.98 g/mol, XLogP of 2.17, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 23347187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).