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

C23H26N2O3S — CID 169370345

IUPACN-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H26N2O3S/c1-18-7-13-22(14-8-18)29(27,28)25-21-11-9-19(10-12-21)15-16-24-17-23(26)20-5-3-2-4-6-20/h2-14,23-26H,15-17H2,1H3
InChIKeyBRYOKPDROUZZGK-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.66
Rot. Bonds9

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

N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 169370345) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID169370345
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H26N2O3S/c1-18-7-13-22(14-8-18)29(27,28)25-21-11-9-19(10-12-21)15-16-24-17-23(26)20-5-3-2-4-6-20/h2-14,23-26H,15-17H2,1H3
InChIKeyBRYOKPDROUZZGK-UHFFFAOYSA-N
XLogP3.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
N-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 19351495
1-[4-[[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]sulfamoyl]phenyl]-3-(2-phenylethyl)urea
CID 19420719
4-(5-anilino-1,2,4-oxadiazol-3-yl)-N-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]benzenesulfonamide
CID 19351389
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
N-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]-4-(2-pentyl-1,3-thiazol-5-yl)benzenesulfonamide
CID 19420610
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488
4-[5-[difluoro(phenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]benzenesulfonamide
CID 19351453
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
3-[4-[[4-[2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-1,1-dimethylurea
CID 19420564
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide (CID 169370345) is N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is BRYOKPDROUZZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-18-7-13-22(14-8-18)29(27,28)25-21-11-9-19(10-12-21)15-16-24-17-23(26)20-5-3-2-4-6-20/h2-14,23-26H,15-17H2,1H3.
What are the key properties of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).