(2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide

C15H17NO3S — CID 135065533

IUPAC(2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide
SMILESO=S(=O)(C[C@@H](O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C15H17NO3S/c17-15(14-9-5-2-6-10-14)12-20(18,19)16-11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2/t15-/m1/s1
InChIKeyRFCIOHNULRDKPQ-OAHLLOKOSA-N
MW291.37 g/mol
LogP1.84
Rot. Bonds6

About (2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide

(2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide (PubChem CID 135065533) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is (2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide
PubChem CID135065533
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name(2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide
SMILESO=S(=O)(C[C@@H](O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C15H17NO3S/c17-15(14-9-5-2-6-10-14)12-20(18,19)16-11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2/t15-/m1/s1
InChIKeyRFCIOHNULRDKPQ-OAHLLOKOSA-N
XLogP1.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide?
The IUPAC name of (2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide (CID 135065533) is (2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide.
What is the SMILES notation for (2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide?
The canonical SMILES for (2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide is O=S(=O)(C[C@@H](O)c1ccccc1)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide?
The InChIKey is RFCIOHNULRDKPQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-15(14-9-5-2-6-10-14)12-20(18,19)16-11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2/t15-/m1/s1.
What are the key properties of (2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide?
(2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-hydroxy-2-phenylethanesulfonamide is sourced from PubChem (CID 135065533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).