4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide

C17H17FN2O5S — CID 56774873

IUPAC4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide
SMILESO=C1COC[C@H]([C@H](O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)N1
InChIInChI=1S/C17H17FN2O5S/c18-12-3-7-14(8-4-12)26(23,24)20-13-5-1-11(2-6-13)17(22)15-9-25-10-16(21)19-15/h1-8,15,17,20,22H,9-10H2,(H,19,21)/t15-,17-/m1/s1
InChIKeyFMTTZGDDWIDYSU-NVXWUHKLSA-N
MW380.40 g/mol
LogP1.17
Rot. Bonds5

About 4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide

4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide (PubChem CID 56774873) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide
PubChem CID56774873
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Name4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide
SMILESO=C1COC[C@H]([C@H](O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)N1
InChIInChI=1S/C17H17FN2O5S/c18-12-3-7-14(8-4-12)26(23,24)20-13-5-1-11(2-6-13)17(22)15-9-25-10-16(21)19-15/h1-8,15,17,20,22H,9-10H2,(H,19,21)/t15-,17-/m1/s1
InChIKeyFMTTZGDDWIDYSU-NVXWUHKLSA-N
XLogP1.17
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide (CID 56774873) is 4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide is O=C1COC[C@H]([C@H](O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)N1.
What is the InChIKey of 4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide?
The InChIKey is FMTTZGDDWIDYSU-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c18-12-3-7-14(8-4-12)26(23,24)20-13-5-1-11(2-6-13)17(22)15-9-25-10-16(21)19-15/h1-8,15,17,20,22H,9-10H2,(H,19,21)/t15-,17-/m1/s1.
What are the key properties of 4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide?
4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide has a molecular weight of 380.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 56774873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).