N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

C20H20F4N2O5S — CID 55489167

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H20F4N2O5S/c21-17-6-5-16(11-18(17)32(28,29)26-7-9-30-10-8-26)25-19(27)15-3-1-14(2-4-15)12-31-13-20(22,23)24/h1-6,11H,7-10,12-13H2,(H,25,27)
InChIKeyCEMOKMACSJHTTM-UHFFFAOYSA-N
MW476.45 g/mol
LogP3.18
Rot. Bonds7

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 55489167) has the molecular formula C20H20F4N2O5S and a molecular weight of 476.45 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID55489167
Molecular FormulaC20H20F4N2O5S
Molecular Weight476.45 g/mol
Exact Mass476.10
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H20F4N2O5S/c21-17-6-5-16(11-18(17)32(28,29)26-7-9-30-10-8-26)25-19(27)15-3-1-14(2-4-15)12-31-13-20(22,23)24/h1-6,11H,7-10,12-13H2,(H,25,27)
InChIKeyCEMOKMACSJHTTM-UHFFFAOYSA-N
XLogP3.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 55684611
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26206760
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 41322705
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
2-(4-aminophenyl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119678981
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 55489167) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is CEMOKMACSJHTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O5S/c21-17-6-5-16(11-18(17)32(28,29)26-7-9-30-10-8-26)25-19(27)15-3-1-14(2-4-15)12-31-13-20(22,23)24/h1-6,11H,7-10,12-13H2,(H,25,27).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 476.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 55489167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).