(2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

C16H15Cl2NO4S — CID 1476404

IUPAC(2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO4S/c1-16(21,15(20)19-13-7-5-11(17)6-8-13)10-24(22,23)14-4-2-3-12(18)9-14/h2-9,21H,10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyINRZVJDFGUNHKL-MRXNPFEDSA-N
MW388.27 g/mol
LogP3.16
Rot. Bonds5

About (2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

(2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (PubChem CID 1476404) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
PubChem CID1476404
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name(2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO4S/c1-16(21,15(20)19-13-7-5-11(17)6-8-13)10-24(22,23)14-4-2-3-12(18)9-14/h2-9,21H,10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyINRZVJDFGUNHKL-MRXNPFEDSA-N
XLogP3.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(benzenesulfonyl)-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide
CID 1476452
2-hydroxy-2-methyl-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylpropanamide
CID 155563219
(2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide
CID 1476391
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4638465
2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylpropanamide
CID 155555133
2-(3-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 1486366
(2R)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97066636
(2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97066635
N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
CID 47269831
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (CID 1476404) is (2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is C[C@@](O)(CS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The InChIKey is INRZVJDFGUNHKL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-16(21,15(20)19-13-7-5-11(17)6-8-13)10-24(22,23)14-4-2-3-12(18)9-14/h2-9,21H,10H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
(2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide has a molecular weight of 388.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 1476404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).