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

C18H16F4N2O4S — CID 2684216

IUPAC4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H16F4N2O4S/c19-15-6-1-12(11-16(15)29(26,27)24-7-9-28-10-8-24)17(25)23-14-4-2-13(3-5-14)18(20,21)22/h1-6,11H,7-10H2,(H,23,25)
InChIKeyABWVAIWQAZICLR-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.12
Rot. Bonds4

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

4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 2684216) has the molecular formula C18H16F4N2O4S and a molecular weight of 432.40 g/mol. Its IUPAC name is 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID2684216
Molecular FormulaC18H16F4N2O4S
Molecular Weight432.40 g/mol
Exact Mass432.08
IUPAC Name4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H16F4N2O4S/c19-15-6-1-12(11-16(15)29(26,27)24-7-9-28-10-8-24)17(25)23-14-4-2-13(3-5-14)18(20,21)22/h1-6,11H,7-10H2,(H,23,25)
InChIKeyABWVAIWQAZICLR-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 24637915
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55489167
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55731562
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 55684611
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide (CID 2684216) is 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(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-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ABWVAIWQAZICLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O4S/c19-15-6-1-12(11-16(15)29(26,27)24-7-9-28-10-8-24)17(25)23-14-4-2-13(3-5-14)18(20,21)22/h1-6,11H,7-10H2,(H,23,25).
What are the key properties of 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 432.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2684216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).