4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide

C16H23FN2O6S — CID 74577801

IUPAC4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1OC(CO)C(O)C1N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O6S/c17-11-1-3-12(4-2-11)26(22,23)18-9-13-15(16(21)14(10-20)25-13)19-5-7-24-8-6-19/h1-4,13-16,18,20-21H,5-10H2
InChIKeyQJYBNOAFZDNXPE-UHFFFAOYSA-N
MW390.43 g/mol
LogP-1.07
Rot. Bonds6

About 4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide

4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 74577801) has the molecular formula C16H23FN2O6S and a molecular weight of 390.43 g/mol. Its IUPAC name is 4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide
PubChem CID74577801
Molecular FormulaC16H23FN2O6S
Molecular Weight390.43 g/mol
Exact Mass390.13
IUPAC Name4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1OC(CO)C(O)C1N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O6S/c17-11-1-3-12(4-2-11)26(22,23)18-9-13-15(16(21)14(10-20)25-13)19-5-7-24-8-6-19/h1-4,13-16,18,20-21H,5-10H2
InChIKeyQJYBNOAFZDNXPE-UHFFFAOYSA-N
XLogP-1.07
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide (CID 74577801) is 4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1OC(CO)C(O)C1N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is QJYBNOAFZDNXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O6S/c17-11-1-3-12(4-2-11)26(22,23)18-9-13-15(16(21)14(10-20)25-13)19-5-7-24-8-6-19/h1-4,13-16,18,20-21H,5-10H2.
What are the key properties of 4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 390.43 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 74577801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).