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

C16H22ClNO4S — CID 1476391

IUPAC(2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(CS(=O)(=O)C1CCCCC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO4S/c1-16(20,11-23(21,22)14-5-3-2-4-6-14)15(19)18-13-9-7-12(17)8-10-13/h7-10,14,20H,2-6,11H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyOAFXXDAKANEVIM-MRXNPFEDSA-N
MW359.88 g/mol
LogP2.78
Rot. Bonds5

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

(2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide (PubChem CID 1476391) has the molecular formula C16H22ClNO4S and a molecular weight of 359.88 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide
PubChem CID1476391
Molecular FormulaC16H22ClNO4S
Molecular Weight359.88 g/mol
Exact Mass359.10
IUPAC Name(2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(CS(=O)(=O)C1CCCCC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO4S/c1-16(20,11-23(21,22)14-5-3-2-4-6-14)15(19)18-13-9-7-12(17)8-10-13/h7-10,14,20H,2-6,11H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyOAFXXDAKANEVIM-MRXNPFEDSA-N
XLogP2.78
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-cyclohexylsulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 1479217
(2S)-N-(4-chlorophenyl)-3-(3-chlorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
CID 1476404
(2R)-N-(4-chlorophenyl)-3-[(S)-(4-chlorophenyl)sulfinyl]-2-hydroxy-2-methylpropanamide
CID 40512925
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylpropanamide
CID 155555133
N-(4-chlorophenyl)-2-piperidin-3-ylsulfonylacetamide
CID 84755057
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4638465
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
2,2,2-tribromo-N-(4-chlorophenyl)acetamide
CID 10916515

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide (CID 1476391) is (2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide is C[C@@](O)(CS(=O)(=O)C1CCCCC1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide?
The InChIKey is OAFXXDAKANEVIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22ClNO4S/c1-16(20,11-23(21,22)14-5-3-2-4-6-14)15(19)18-13-9-7-12(17)8-10-13/h7-10,14,20H,2-6,11H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide?
(2S)-N-(4-chlorophenyl)-3-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide has a molecular weight of 359.88 g/mol, XLogP of 2.78, 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-cyclohexylsulfonyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 1476391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).