(2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide

C16H15Cl2NO3S — CID 40512925

IUPAC(2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(C[S@](=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO3S/c1-16(21,10-23(22)14-8-4-12(18)5-9-14)15(20)19-13-6-2-11(17)3-7-13/h2-9,21H,10H2,1H3,(H,19,20)/t16-,23-/m0/s1
InChIKeySTSWFTBGZGCHTD-HJPURHCSSA-N
MW372.27 g/mol
LogP3.49
Rot. Bonds5

About (2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide

(2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide (PubChem CID 40512925) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide
PubChem CID40512925
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC Name(2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(C[S@](=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO3S/c1-16(21,10-23(22)14-8-4-12(18)5-9-14)15(20)19-13-6-2-11(17)3-7-13/h2-9,21H,10H2,1H3,(H,19,20)/t16-,23-/m0/s1
InChIKeySTSWFTBGZGCHTD-HJPURHCSSA-N
XLogP3.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
3-(benzenesulfinyl)-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide
CID 163515768
(2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide
CID 1476391
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
2,2,2-tribromo-N-(4-chlorophenyl)acetamide
CID 10916515
(2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
CID 1476404
2-(benzylamino)-1-(4-chlorophenyl)sulfinylpropan-2-ol
CID 169101346
1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea
CID 10665600
2-[(4-chlorophenyl)carbamoyl]-2-ethylbutanoic acid
CID 24823612
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
N-(4-chlorophenyl)-3,3-dimethylpentanamide
CID 18712252
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide
CID 61302979

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide (CID 40512925) is (2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide is C[C@](O)(C[S@](=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is STSWFTBGZGCHTD-HJPURHCSSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-16(21,10-23(22)14-8-4-12(18)5-9-14)15(20)19-13-6-2-11(17)3-7-13/h2-9,21H,10H2,1H3,(H,19,20)/t16-,23-/m0/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide?
(2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 372.27 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 40512925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).