4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide

C21H24F2N2O5S — CID 53382744

IUPAC4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1)c1ccc(F)cc1
InChIInChI=1S/C21H24F2N2O5S/c22-15-7-5-14(6-8-15)21(27)24-12-11-16-9-10-18(19(13-26)30-16)25-31(28,29)20-4-2-1-3-17(20)23/h1-8,16,18-19,25-26H,9-13H2,(H,24,27)/t16-,18+,19-/m1/s1
InChIKeyDCOUIHVSHDCYLI-NZSAHSFTSA-N
MW454.50 g/mol
LogP1.97
Rot. Bonds8

About 4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide

4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide (PubChem CID 53382744) has the molecular formula C21H24F2N2O5S and a molecular weight of 454.50 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide
PubChem CID53382744
Molecular FormulaC21H24F2N2O5S
Molecular Weight454.50 g/mol
Exact Mass454.14
IUPAC Name4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide
SMILESO=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1)c1ccc(F)cc1
InChIInChI=1S/C21H24F2N2O5S/c22-15-7-5-14(6-8-15)21(27)24-12-11-16-9-10-18(19(13-26)30-16)25-31(28,29)20-4-2-1-3-17(20)23/h1-8,16,18-19,25-26H,9-13H2,(H,24,27)/t16-,18+,19-/m1/s1
InChIKeyDCOUIHVSHDCYLI-NZSAHSFTSA-N
XLogP1.97
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide with MolForge

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Related Compounds

4-sulfamoyl-N-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168291977
N-[(3R,4R,5S,6R)-6-(benzenesulfonamidomethyl)-2,4,5-trihydroxyoxan-3-yl]-3-phenylbenzamide
CID 57411333
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(propanoylamino)oxan-3-yl]-4-sulfamoylbenzamide
CID 166633557
2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 2302171
N-[4-(4-morpholinylsulfonyl)benzoyl]phenylalanine
CID 2771106
N-(2-hydroxy-2-phenylethyl)-3-(4-morpholinylsulfonyl)benzamide
CID 2979358
3-[[4-(2,6-Dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-3-(4-methylphenyl)propanoic acid
CID 16315689
3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide
CID 53382664
N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-fluorobenzamide
CID 53382738
N-[2-[(2S,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)-2-oxanyl]ethyl]-3,5-dichlorobenzamide
CID 53382742
2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide
CID 53382745
N-[[(3S,4R,5R)-3,4-dihydroxy-5-[[(4-methylphenyl)sulfonylamino]methyl]oxolan-3-yl]methyl]benzamide
CID 118652054

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide (CID 53382744) is 4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide is O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide?
The InChIKey is DCOUIHVSHDCYLI-NZSAHSFTSA-N. The full InChI is InChI=1S/C21H24F2N2O5S/c22-15-7-5-14(6-8-15)21(27)24-12-11-16-9-10-18(19(13-26)30-16)25-31(28,29)20-4-2-1-3-17(20)23/h1-8,16,18-19,25-26H,9-13H2,(H,24,27)/t16-,18+,19-/m1/s1.
What are the key properties of 4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide?
4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide has a molecular weight of 454.50 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]benzamide is sourced from PubChem (CID 53382744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).