N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide

C17H21NO3S — CID 4204448

IUPACN-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC(CO)c2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-13(2)14-8-10-16(11-9-14)22(20,21)18-17(12-19)15-6-4-3-5-7-15/h3-11,13,17-19H,12H2,1-2H3
InChIKeyHRBCSPHLBPVCKH-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.82
Rot. Bonds6

About N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide

N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 4204448) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID4204448
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC(CO)c2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-13(2)14-8-10-16(11-9-14)22(20,21)18-17(12-19)15-6-4-3-5-7-15/h3-11,13,17-19H,12H2,1-2H3
InChIKeyHRBCSPHLBPVCKH-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide
CID 107862764
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate
CID 6972924
N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide
CID 63182937
3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide
CID 71911398
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 103825688
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
3-amino-4-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861953

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide (CID 4204448) is N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NC(CO)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is HRBCSPHLBPVCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13(2)14-8-10-16(11-9-14)22(20,21)18-17(12-19)15-6-4-3-5-7-15/h3-11,13,17-19H,12H2,1-2H3.
What are the key properties of N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide?
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 4204448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).