3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide

C15H18N2O3S — CID 107862011

IUPAC3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N[C@@H](CO)c2ccccc2)c1
InChIInChI=1S/C15H18N2O3S/c1-11-7-13(16)9-14(8-11)21(19,20)17-15(10-18)12-5-3-2-4-6-12/h2-9,15,17-18H,10,16H2,1H3/t15-/m0/s1
InChIKeyHETPQYLHSWGOPS-HNNXBMFYSA-N
MW306.39 g/mol
LogP1.59
Rot. Bonds5

About 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide

3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide (PubChem CID 107862011) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide
PubChem CID107862011
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N[C@@H](CO)c2ccccc2)c1
InChIInChI=1S/C15H18N2O3S/c1-11-7-13(16)9-14(8-11)21(19,20)17-15(10-18)12-5-3-2-4-6-12/h2-9,15,17-18H,10,16H2,1H3/t15-/m0/s1
InChIKeyHETPQYLHSWGOPS-HNNXBMFYSA-N
XLogP1.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 107861957
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
3-amino-4-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861953
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861980
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 103825688
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 107861785
3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide
CID 71911398
N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide
CID 23020097

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide (CID 107862011) is 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)N[C@@H](CO)c2ccccc2)c1.
What is the InChIKey of 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide?
The InChIKey is HETPQYLHSWGOPS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-7-13(16)9-14(8-11)21(19,20)17-15(10-18)12-5-3-2-4-6-12/h2-9,15,17-18H,10,16H2,1H3/t15-/m0/s1.
What are the key properties of 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide?
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 107862011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).