2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol

C16H20N2O3S — CID 70408457

IUPAC2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol
SMILESCC(Nc1ccc(N)cc1S(=O)(=O)CCO)c1ccccc1
InChIInChI=1S/C16H20N2O3S/c1-12(13-5-3-2-4-6-13)18-15-8-7-14(17)11-16(15)22(20,21)10-9-19/h2-8,11-12,18-19H,9-10,17H2,1H3
InChIKeyFQMFECZOCKUSPM-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.21
Rot. Bonds6

About 2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol

2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol (PubChem CID 70408457) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol.

Molecular Properties

Compound Name2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol
PubChem CID70408457
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol
SMILESCC(Nc1ccc(N)cc1S(=O)(=O)CCO)c1ccccc1
InChIInChI=1S/C16H20N2O3S/c1-12(13-5-3-2-4-6-13)18-15-8-7-14(17)11-16(15)22(20,21)10-9-19/h2-8,11-12,18-19H,9-10,17H2,1H3
InChIKeyFQMFECZOCKUSPM-UHFFFAOYSA-N
XLogP2.21
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]propan-2-ylamino]-4-oxobutanoic acid
CID 54373174
2-[3-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]propylsulfonyl]ethanol
CID 121356188
4-[[(1R)-1-phenylethyl]amino]-3-sulfamoylbenzoic acid
CID 99977103
3-(2-hydroxyethylsulfamoyl)-4-[[(1R)-1-phenylethyl]amino]benzoic acid
CID 99978634
5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83177707
3-(3-hydroxypropylsulfamoyl)-4-[[(1R)-1-phenylethyl]amino]benzoic acid
CID 99978739
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
3-[[(2S)-butan-2-yl]sulfamoyl]-4-[[(1R)-1-phenylethyl]amino]benzoic acid
CID 99977879
3-[[(2R)-butan-2-yl]sulfamoyl]-4-[[(1S)-1-phenylethyl]amino]benzoic acid
CID 99977870
3-(2-methoxyethylsulfamoyl)-4-[[(1S)-1-phenylethyl]amino]benzoic acid
CID 99978841
3-(benzylsulfamoyl)-4-[[(1S)-1-phenylethyl]amino]benzoic acid
CID 99979027
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol?
The IUPAC name of 2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol (CID 70408457) is 2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol.
What is the SMILES notation for 2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol?
The canonical SMILES for 2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol is CC(Nc1ccc(N)cc1S(=O)(=O)CCO)c1ccccc1.
What is the InChIKey of 2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol?
The InChIKey is FQMFECZOCKUSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12(13-5-3-2-4-6-13)18-15-8-7-14(17)11-16(15)22(20,21)10-9-19/h2-8,11-12,18-19H,9-10,17H2,1H3.
What are the key properties of 2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol?
2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol has a molecular weight of 320.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(1-phenylethylamino)phenyl]sulfonylethanol is sourced from PubChem (CID 70408457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).