5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride

C9H15ClN2O3S — CID 22852732

IUPAC5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc([C@@H](O)CN)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C9H14N2O3S.ClH/c1-6-2-3-7(8(12)5-10)4-9(6)15(11,13)14;/h2-4,8,12H,5,10H2,1H3,(H2,11,13,14);1H/t8-;/m0./s1
InChIKeyRHVYFRJWAVFPNW-QRPNPIFTSA-N
MW266.75 g/mol
LogP0.06
Rot. Bonds3

About 5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride

5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 22852732) has the molecular formula C9H15ClN2O3S and a molecular weight of 266.75 g/mol. Its IUPAC name is 5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
PubChem CID22852732
Molecular FormulaC9H15ClN2O3S
Molecular Weight266.75 g/mol
Exact Mass266.05
IUPAC Name5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc([C@@H](O)CN)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C9H14N2O3S.ClH/c1-6-2-3-7(8(12)5-10)4-9(6)15(11,13)14;/h2-4,8,12H,5,10H2,1H3,(H2,11,13,14);1H/t8-;/m0./s1
InChIKeyRHVYFRJWAVFPNW-QRPNPIFTSA-N
XLogP0.06
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide
CID 22852735
2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
CID 178200438
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
5-[3-amino-1-hydroxy-4-(2-methoxyphenoxy)butyl]-2-methylbenzenesulfonamide;hydrochloride
CID 70494607
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid
CID 67900579
5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 23347166
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
2-(methylamino)-1-(4-methyl-3-methylsulfonylphenyl)ethanol
CID 117360557
5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 23347187
5-(3-aminoprop-1-ynyl)-2-methylbenzenesulfonamide
CID 60846015
N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064694
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride (CID 22852732) is 5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride is Cc1ccc([C@@H](O)CN)cc1S(N)(=O)=O.Cl.
What is the InChIKey of 5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is RHVYFRJWAVFPNW-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H14N2O3S.ClH/c1-6-2-3-7(8(12)5-10)4-9(6)15(11,13)14;/h2-4,8,12H,5,10H2,1H3,(H2,11,13,14);1H/t8-;/m0./s1.
What are the key properties of 5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride?
5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 266.75 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-2-amino-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 22852732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).