5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide

C13H12ClFN2O3S — CID 97242215

IUPAC5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1F)c1cncc(Cl)c1
InChIInChI=1S/C13H12ClFN2O3S/c14-9-5-10(7-16-6-9)21(19,20)17-13(8-18)11-3-1-2-4-12(11)15/h1-7,13,17-18H,8H2/t13-/m1/s1
InChIKeyFUABATPQWHWDLA-CYBMUJFWSA-N
MW330.77 g/mol
LogP1.89
Rot. Bonds5

About 5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide

5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide (PubChem CID 97242215) has the molecular formula C13H12ClFN2O3S and a molecular weight of 330.77 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
PubChem CID97242215
Molecular FormulaC13H12ClFN2O3S
Molecular Weight330.77 g/mol
Exact Mass330.02
IUPAC Name5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1F)c1cncc(Cl)c1
InChIInChI=1S/C13H12ClFN2O3S/c14-9-5-10(7-16-6-9)21(19,20)17-13(8-18)11-3-1-2-4-12(11)15/h1-7,13,17-18H,8H2/t13-/m1/s1
InChIKeyFUABATPQWHWDLA-CYBMUJFWSA-N
XLogP1.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide (CID 97242215) is 5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide is O=S(=O)(N[C@H](CO)c1ccccc1F)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide?
The InChIKey is FUABATPQWHWDLA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S/c14-9-5-10(7-16-6-9)21(19,20)17-13(8-18)11-3-1-2-4-12(11)15/h1-7,13,17-18H,8H2/t13-/m1/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide?
5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide has a molecular weight of 330.77 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 97242215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).