N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide

C8H11FN2O4S — CID 103300213

IUPACN-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(NCC(O)CO)c1ncccc1F
InChIInChI=1S/C8H11FN2O4S/c9-7-2-1-3-10-8(7)16(14,15)11-4-6(13)5-12/h1-3,6,11-13H,4-5H2
InChIKeyYIIMJKJLOUNWLP-UHFFFAOYSA-N
MW250.25 g/mol
LogP-1.15
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide

N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103300213) has the molecular formula C8H11FN2O4S and a molecular weight of 250.25 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103300213
Molecular FormulaC8H11FN2O4S
Molecular Weight250.25 g/mol
Exact Mass250.04
IUPAC NameN-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(NCC(O)CO)c1ncccc1F
InChIInChI=1S/C8H11FN2O4S/c9-7-2-1-3-10-8(7)16(14,15)11-4-6(13)5-12/h1-3,6,11-13H,4-5H2
InChIKeyYIIMJKJLOUNWLP-UHFFFAOYSA-N
XLogP-1.15
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide (CID 103300213) is N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide is O=S(=O)(NCC(O)CO)c1ncccc1F.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is YIIMJKJLOUNWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O4S/c9-7-2-1-3-10-8(7)16(14,15)11-4-6(13)5-12/h1-3,6,11-13H,4-5H2.
What are the key properties of N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide?
N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 250.25 g/mol, XLogP of -1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103300213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).