(2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide

C17H17Cl2NO4S — CID 1476456

IUPAC(2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO4S/c1-17(22,11-25(23,24)10-12-5-3-2-4-6-12)16(21)20-15-8-7-13(18)9-14(15)19/h2-9,22H,10-11H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyJFRLJFSARJMTRB-KRWDZBQOSA-N
MW402.30 g/mol
LogP3.30
Rot. Bonds6

About (2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide

(2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide (PubChem CID 1476456) has the molecular formula C17H17Cl2NO4S and a molecular weight of 402.30 g/mol. Its IUPAC name is (2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide
PubChem CID1476456
Molecular FormulaC17H17Cl2NO4S
Molecular Weight402.30 g/mol
Exact Mass401.03
IUPAC Name(2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO4S/c1-17(22,11-25(23,24)10-12-5-3-2-4-6-12)16(21)20-15-8-7-13(18)9-14(15)19/h2-9,22H,10-11H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyJFRLJFSARJMTRB-KRWDZBQOSA-N
XLogP3.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide (CID 1476456) is (2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide is C[C@](O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is JFRLJFSARJMTRB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17Cl2NO4S/c1-17(22,11-25(23,24)10-12-5-3-2-4-6-12)16(21)20-15-8-7-13(18)9-14(15)19/h2-9,22H,10-11H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide?
(2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 402.30 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzylsulfonyl-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 1476456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).