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

C15H18N2O3S — CID 63183034

IUPAC4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(CO)c2ccccc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-16-21(19,20)14-9-7-13(8-10-14)17-15(11-18)12-5-3-2-4-6-12/h2-10,15-18H,11H2,1H3
InChIKeyXXNQILZUYIGEIW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.74
Rot. Bonds6

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

4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide (PubChem CID 63183034) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide
PubChem CID63183034
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(CO)c2ccccc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-16-21(19,20)14-9-7-13(8-10-14)17-15(11-18)12-5-3-2-4-6-12/h2-10,15-18H,11H2,1H3
InChIKeyXXNQILZUYIGEIW-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 106158902
4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide
CID 62631473
N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide
CID 67358765
3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide
CID 63182440
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312
N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide
CID 43790317
2-[4-(methylsulfamoyl)anilino]propanamide
CID 43545637
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
ethane;methane;N-methylbenzenesulfonamide
CID 159487495
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide (CID 63183034) is 4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC(CO)c2ccccc2)cc1.
What is the InChIKey of 4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is XXNQILZUYIGEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-16-21(19,20)14-9-7-13(8-10-14)17-15(11-18)12-5-3-2-4-6-12/h2-10,15-18H,11H2,1H3.
What are the key properties of 4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide?
4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-1-phenylethyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 63183034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).