4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide

C19H17FN2O4S — CID 56943198

IUPAC4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2cccc([C@H](O)CO)n2)cc1
InChIInChI=1S/C19H17FN2O4S/c20-14-6-8-15(9-7-14)22-27(25,26)16-10-4-13(5-11-16)17-2-1-3-18(21-17)19(24)12-23/h1-11,19,22-24H,12H2/t19-/m1/s1
InChIKeyPGBOYPRNYSGJIE-LJQANCHMSA-N
MW388.42 g/mol
LogP2.71
Rot. Bonds6

About 4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide

4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 56943198) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID56943198
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Name4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2cccc([C@H](O)CO)n2)cc1
InChIInChI=1S/C19H17FN2O4S/c20-14-6-8-15(9-7-14)22-27(25,26)16-10-4-13(5-11-16)17-2-1-3-18(21-17)19(24)12-23/h1-11,19,22-24H,12H2/t19-/m1/s1
InChIKeyPGBOYPRNYSGJIE-LJQANCHMSA-N
XLogP2.71
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide (CID 56943198) is 4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2cccc([C@H](O)CO)n2)cc1.
What is the InChIKey of 4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is PGBOYPRNYSGJIE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c20-14-6-8-15(9-7-14)22-27(25,26)16-10-4-13(5-11-16)17-2-1-3-18(21-17)19(24)12-23/h1-11,19,22-24H,12H2/t19-/m1/s1.
What are the key properties of 4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide?
4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 388.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 56943198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).