(1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine

C22H23NO2S — CID 167596335

IUPAC(1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine
SMILESCc1ccc(S(=O)(=O)C[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C22H23NO2S/c1-17-12-14-20(15-13-17)26(24,25)16-21(18-8-4-2-5-9-18)22(23)19-10-6-3-7-11-19/h2-15,21-22H,16,23H2,1H3/t21-,22-/m0/s1
InChIKeyQCEGVPZGZUANDY-VXKWHMMOSA-N
MW365.50 g/mol
LogP4.25
Rot. Bonds6

About (1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine

(1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine (PubChem CID 167596335) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is (1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine.

Molecular Properties

Compound Name(1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine
PubChem CID167596335
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name(1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine
SMILESCc1ccc(S(=O)(=O)C[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C22H23NO2S/c1-17-12-14-20(15-13-17)26(24,25)16-21(18-8-4-2-5-9-18)22(23)19-10-6-3-7-11-19/h2-15,21-22H,16,23H2,1H3/t21-,22-/m0/s1
InChIKeyQCEGVPZGZUANDY-VXKWHMMOSA-N
XLogP4.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine 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-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide
CID 15423591
2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol
CID 147314995
[4-(4-methylphenyl)sulfonyloxy-2,3-diphenylbutyl] 4-methylbenzenesulfonate
CID 13053257
1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine
CID 892041
2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone
CID 58417517
1-(benzhydrylsulfinylmethylsulfonyl)-4-methylbenzene
CID 14815329
(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol
CID 14640296
(2S,3S)-3-hydroxy-2-[(4-methylphenyl)sulfonylmethyl]-1-phenylbutan-1-one
CID 100989865
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
1-(benzenesulfonyl)propan-2-amine
CID 62917209

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine?
The IUPAC name of (1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine (CID 167596335) is (1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine.
What is the SMILES notation for (1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine?
The canonical SMILES for (1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine is Cc1ccc(S(=O)(=O)C[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.
What is the InChIKey of (1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine?
The InChIKey is QCEGVPZGZUANDY-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-17-12-14-20(15-13-17)26(24,25)16-21(18-8-4-2-5-9-18)22(23)19-10-6-3-7-11-19/h2-15,21-22H,16,23H2,1H3/t21-,22-/m0/s1.
What are the key properties of (1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine?
(1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine has a molecular weight of 365.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine is sourced from PubChem (CID 167596335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).