N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide

C21H21NO2S — CID 134478846

IUPACN-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide
SMILESC[C@H](CO)c1cccc(NS(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H21NO2S/c1-16(15-23)19-8-5-9-20(14-19)22-25(24)21-12-10-18(11-13-21)17-6-3-2-4-7-17/h2-14,16,22-23H,15H2,1H3/t16-,25?/m1/s1
InChIKeyIDLCUCAYOJEUHR-ZRTDVJLTSA-N
MW351.47 g/mol
LogP4.58
Rot. Bonds6

About N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide

N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide (PubChem CID 134478846) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide.

Molecular Properties

Compound NameN-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide
PubChem CID134478846
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide
SMILESC[C@H](CO)c1cccc(NS(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H21NO2S/c1-16(15-23)19-8-5-9-20(14-19)22-25(24)21-12-10-18(11-13-21)17-6-3-2-4-7-17/h2-14,16,22-23H,15H2,1H3/t16-,25?/m1/s1
InChIKeyIDLCUCAYOJEUHR-ZRTDVJLTSA-N
XLogP4.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide 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

[3-(1-hydroxypropan-2-yl)phenyl]urea
CID 117284641
N-[3-[2-hydroxy-1-(methylamino)ethyl]phenyl]-4-phenylbenzenesulfonamide
CID 67358765
(S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide
CID 171487084
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
2-(3-methylphenyl)propan-1-ol
CID 21478686
N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide
CID 176928082
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
(R)-N-[3-(4-aminopentan-2-yl)phenyl]-1,1-difluoromethanesulfinamide
CID 138714770
1-propan-2-yl-3-(sulfinatoamino)benzene
CID 154626762
N-(3-ethynylphenyl)benzenesulfinamide
CID 130315591

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide?
The IUPAC name of N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide (CID 134478846) is N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide.
What is the SMILES notation for N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide?
The canonical SMILES for N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide is C[C@H](CO)c1cccc(NS(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide?
The InChIKey is IDLCUCAYOJEUHR-ZRTDVJLTSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-16(15-23)19-8-5-9-20(14-19)22-25(24)21-12-10-18(11-13-21)17-6-3-2-4-7-17/h2-14,16,22-23H,15H2,1H3/t16-,25?/m1/s1.
What are the key properties of N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide?
N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide has a molecular weight of 351.47 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide is sourced from PubChem (CID 134478846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).