N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide

C18H16F4N2O4S — CID 163347502

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H16F4N2O4S/c19-15-6-3-13(18(20,21)22)11-16(15)23-17(25)12-1-4-14(5-2-12)29(26,27)24-7-9-28-10-8-24/h1-6,11H,7-10H2,(H,23,25)
InChIKeyRMYGLWCOJFANPH-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.12
Rot. Bonds4

About N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 163347502) has the molecular formula C18H16F4N2O4S and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID163347502
Molecular FormulaC18H16F4N2O4S
Molecular Weight432.40 g/mol
Exact Mass432.08
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H16F4N2O4S/c19-15-6-3-13(18(20,21)22)11-16(15)23-17(25)12-1-4-14(5-2-12)29(26,27)24-7-9-28-10-8-24/h1-6,11H,7-10H2,(H,23,25)
InChIKeyRMYGLWCOJFANPH-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-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 8759383
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 27672653
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 56530676
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892289
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560
4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16609512
3-morpholin-4-ylsulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175483

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide (CID 163347502) is N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RMYGLWCOJFANPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O4S/c19-15-6-3-13(18(20,21)22)11-16(15)23-17(25)12-1-4-14(5-2-12)29(26,27)24-7-9-28-10-8-24/h1-6,11H,7-10H2,(H,23,25).
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide 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 N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 163347502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).