2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide

C15H18N2O3S — CID 107861957

IUPAC2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c(N)c1
InChIInChI=1S/C15H18N2O3S/c1-11-7-8-15(13(16)9-11)21(19,20)17-14(10-18)12-5-3-2-4-6-12/h2-9,14,17-18H,10,16H2,1H3/t14-/m1/s1
InChIKeyLEEDZLUKQXUADK-CQSZACIVSA-N
MW306.39 g/mol
LogP1.59
Rot. Bonds5

About 2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide

2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide (PubChem CID 107861957) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
PubChem CID107861957
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c(N)c1
InChIInChI=1S/C15H18N2O3S/c1-11-7-8-15(13(16)9-11)21(19,20)17-14(10-18)12-5-3-2-4-6-12/h2-9,14,17-18H,10,16H2,1H3/t14-/m1/s1
InChIKeyLEEDZLUKQXUADK-CQSZACIVSA-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-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 103825688
2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182594
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide
CID 107862011
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861980
2-amino-5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861982
2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861996
2-amino-5-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182474
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
3-amino-4-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861953
2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225
3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide (CID 107861957) is 2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c(N)c1.
What is the InChIKey of 2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is LEEDZLUKQXUADK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-7-8-15(13(16)9-11)21(19,20)17-14(10-18)12-5-3-2-4-6-12/h2-9,14,17-18H,10,16H2,1H3/t14-/m1/s1.
What are the key properties of 2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide?
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-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 2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 107861957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).