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

C14H14ClFN2O3S — CID 97242212

IUPAC5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide
SMILESCN([C@H](CO)c1cccc(F)c1)S(=O)(=O)c1cncc(Cl)c1
InChIInChI=1S/C14H14ClFN2O3S/c1-18(14(9-19)10-3-2-4-12(16)5-10)22(20,21)13-6-11(15)7-17-8-13/h2-8,14,19H,9H2,1H3/t14-/m1/s1
InChIKeyAALFLBJXVAHVMO-CQSZACIVSA-N
MW344.80 g/mol
LogP2.23
Rot. Bonds5

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

5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide (PubChem CID 97242212) has the molecular formula C14H14ClFN2O3S and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide
PubChem CID97242212
Molecular FormulaC14H14ClFN2O3S
Molecular Weight344.80 g/mol
Exact Mass344.04
IUPAC Name5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide
SMILESCN([C@H](CO)c1cccc(F)c1)S(=O)(=O)c1cncc(Cl)c1
InChIInChI=1S/C14H14ClFN2O3S/c1-18(14(9-19)10-3-2-4-12(16)5-10)22(20,21)13-6-11(15)7-17-8-13/h2-8,14,19H,9H2,1H3/t14-/m1/s1
InChIKeyAALFLBJXVAHVMO-CQSZACIVSA-N
XLogP2.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide (CID 97242212) is 5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide is CN([C@H](CO)c1cccc(F)c1)S(=O)(=O)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is AALFLBJXVAHVMO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14ClFN2O3S/c1-18(14(9-19)10-3-2-4-12(16)5-10)22(20,21)13-6-11(15)7-17-8-13/h2-8,14,19H,9H2,1H3/t14-/m1/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide?
5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 344.80 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 97242212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).