(2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide

C14H14FNO3S — CID 102109123

IUPAC(2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide
SMILESO=S(=O)(C[C@@H](O)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c15-12-6-8-13(9-7-12)16-20(18,19)10-14(17)11-4-2-1-3-5-11/h1-9,14,16-17H,10H2/t14-/m1/s1
InChIKeyPMJUBZJTJKESSE-CQSZACIVSA-N
MW295.34 g/mol
LogP2.30
Rot. Bonds5

About (2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide

(2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide (PubChem CID 102109123) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide
PubChem CID102109123
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name(2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide
SMILESO=S(=O)(C[C@@H](O)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c15-12-6-8-13(9-7-12)16-20(18,19)10-14(17)11-4-2-1-3-5-11/h1-9,14,16-17H,10H2/t14-/m1/s1
InChIKeyPMJUBZJTJKESSE-CQSZACIVSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide (CID 102109123) is (2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide is O=S(=O)(C[C@@H](O)c1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide?
The InChIKey is PMJUBZJTJKESSE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14FNO3S/c15-12-6-8-13(9-7-12)16-20(18,19)10-14(17)11-4-2-1-3-5-11/h1-9,14,16-17H,10H2/t14-/m1/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide?
(2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-hydroxy-2-phenylethanesulfonamide is sourced from PubChem (CID 102109123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).