N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide

C16H19NO3S — CID 5155581

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-13-7-9-16(10-8-13)21(19,20)17-15(12-18)11-14-5-3-2-4-6-14/h2-10,15,17-18H,11-12H2,1H3
InChIKeyQSUGRMCPSKTJTP-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.88
Rot. Bonds6

About N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide

N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 5155581) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
PubChem CID5155581
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-13-7-9-16(10-8-13)21(19,20)17-15(12-18)11-14-5-3-2-4-6-14/h2-10,15,17-18H,11-12H2,1H3
InChIKeyQSUGRMCPSKTJTP-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide 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-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 93004561
4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide
CID 50993309
N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 165342128
4-methyl-N-[(2R,4S)-4-methyl-5-oxo-1-phenylheptan-2-yl]benzenesulfonamide
CID 10809381
N-[(2R)-1-hydroxy-4-oxo-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 102527600
[(2R)-1,1-dideuterio-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate
CID 131668400
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
N-[(2S)-4-[2-(hydroxymethyl)phenoxy]-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 102167974
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide (CID 5155581) is N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CO)Cc2ccccc2)cc1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is QSUGRMCPSKTJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-7-9-16(10-8-13)21(19,20)17-15(12-18)11-14-5-3-2-4-6-14/h2-10,15,17-18H,11-12H2,1H3.
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 5155581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).