4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C19H18F4N2O5S — CID 24646597

IUPAC4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18F4N2O5S/c20-16-6-3-14(11-17(16)31(27,28)25-7-9-29-10-8-25)18(26)24-12-13-1-4-15(5-2-13)30-19(21,22)23/h1-6,11H,7-10,12H2,(H,24,26)
InChIKeyDURQWSMAGWSPQI-UHFFFAOYSA-N
MW462.42 g/mol
LogP2.68
Rot. Bonds6

About 4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 24646597) has the molecular formula C19H18F4N2O5S and a molecular weight of 462.42 g/mol. Its IUPAC name is 4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID24646597
Molecular FormulaC19H18F4N2O5S
Molecular Weight462.42 g/mol
Exact Mass462.09
IUPAC Name4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18F4N2O5S/c20-16-6-3-14(11-17(16)31(27,28)25-7-9-29-10-8-25)18(26)24-12-13-1-4-15(5-2-13)30-19(21,22)23/h1-6,11H,7-10,12H2,(H,24,26)
InChIKeyDURQWSMAGWSPQI-UHFFFAOYSA-N
XLogP2.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 9303699
N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26533312
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
CID 46349179
cyanomethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2681686
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55335989
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 42900621

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 24646597) is 4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is DURQWSMAGWSPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O5S/c20-16-6-3-14(11-17(16)31(27,28)25-7-9-29-10-8-25)18(26)24-12-13-1-4-15(5-2-13)30-19(21,22)23/h1-6,11H,7-10,12H2,(H,24,26).
What are the key properties of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 462.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 24646597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).