N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide

C18H16ClF3N2O4S — CID 2713360

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H16ClF3N2O4S/c19-16-5-4-13(11-15(16)18(20,21)22)23-17(25)12-2-1-3-14(10-12)29(26,27)24-6-8-28-9-7-24/h1-5,10-11H,6-9H2,(H,23,25)
InChIKeyYJUOMXPQWRZHLU-UHFFFAOYSA-N
MW448.85 g/mol
LogP3.63
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2713360) has the molecular formula C18H16ClF3N2O4S and a molecular weight of 448.85 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2713360
Molecular FormulaC18H16ClF3N2O4S
Molecular Weight448.85 g/mol
Exact Mass448.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H16ClF3N2O4S/c19-16-5-4-13(11-15(16)18(20,21)22)23-17(25)12-2-1-3-14(10-12)29(26,27)24-6-8-28-9-7-24/h1-5,10-11H,6-9H2,(H,23,25)
InChIKeyYJUOMXPQWRZHLU-UHFFFAOYSA-N
XLogP3.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40855456
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
N-[4-(2-cyanopropan-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30857520
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
N-(4-fluoro-3-methylphenyl)-3-(1,4-oxazepan-4-ylsulfonyl)benzamide
CID 123184223
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
2-[4-chloro-3-(trifluoromethyl)anilino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828967

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide (CID 2713360) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YJUOMXPQWRZHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O4S/c19-16-5-4-13(11-15(16)18(20,21)22)23-17(25)12-2-1-3-14(10-12)29(26,27)24-6-8-28-9-7-24/h1-5,10-11H,6-9H2,(H,23,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 448.85 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2713360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).