5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride

C19H27ClN2O5S — CID 23347166

IUPAC5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCOc1ccccc1OCC(C)NCC(O)c1ccc(C)c(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C19H26N2O5S.ClH/c1-13-8-9-15(10-19(13)27(20,23)24)16(22)11-21-14(2)12-26-18-7-5-4-6-17(18)25-3;/h4-10,14,16,21-22H,11-12H2,1-3H3,(H2,20,23,24);1H
InChIKeyLAHBLIPTLPIAKJ-UHFFFAOYSA-N
MW430.95 g/mol
LogP2.16
Rot. Bonds9

About 5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride

5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 23347166) has the molecular formula C19H27ClN2O5S and a molecular weight of 430.95 g/mol. Its IUPAC name is 5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride
PubChem CID23347166
Molecular FormulaC19H27ClN2O5S
Molecular Weight430.95 g/mol
Exact Mass430.13
IUPAC Name5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCOc1ccccc1OCC(C)NCC(O)c1ccc(C)c(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C19H26N2O5S.ClH/c1-13-8-9-15(10-19(13)27(20,23)24)16(22)11-21-14(2)12-26-18-7-5-4-6-17(18)25-3;/h4-10,14,16,21-22H,11-12H2,1-3H3,(H2,20,23,24);1H
InChIKeyLAHBLIPTLPIAKJ-UHFFFAOYSA-N
XLogP2.16
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 23347187
5-[3-amino-1-hydroxy-4-(2-methoxyphenoxy)butyl]-2-methylbenzenesulfonamide;hydrochloride
CID 70494607
5-[1-hydroxy-2-[[4-(2-methoxyphenyl)-5-phenylpentan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 57269617
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
2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide
CID 13106303
5-[1-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)butan-2-ylamino]ethyl]-2-methoxybenzenesulfonamide;hydrochloride
CID 23347178
5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide
CID 22852735
N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide
CID 56921687
5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 13106309
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol
CID 14676134

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride (CID 23347166) is 5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride is COc1ccccc1OCC(C)NCC(O)c1ccc(C)c(S(N)(=O)=O)c1.Cl.
What is the InChIKey of 5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is LAHBLIPTLPIAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S.ClH/c1-13-8-9-15(10-19(13)27(20,23)24)16(22)11-21-14(2)12-26-18-7-5-4-6-17(18)25-3;/h4-10,14,16,21-22H,11-12H2,1-3H3,(H2,20,23,24);1H.
What are the key properties of 5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride?
5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 430.95 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 23347166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).