N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

C19H20F2N2O4S — CID 84834881

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O4S/c1-13(17-6-5-15(20)12-18(17)21)22-19(24)14-3-2-4-16(11-14)28(25,26)23-7-9-27-10-8-23/h2-6,11-13H,7-10H2,1H3,(H,22,24)
InChIKeyXUOCQMGJNXMWGC-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.48
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 84834881) has the molecular formula C19H20F2N2O4S and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID84834881
Molecular FormulaC19H20F2N2O4S
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O4S/c1-13(17-6-5-15(20)12-18(17)21)22-19(24)14-3-2-4-16(11-14)28(25,26)23-7-9-27-10-8-23/h2-6,11-13H,7-10H2,1H3,(H,22,24)
InChIKeyXUOCQMGJNXMWGC-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55336980
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944643
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944640
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
4-(azepan-1-ylsulfonyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 8782191
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2588987
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 45353538
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 84834881) is N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is CC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XUOCQMGJNXMWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4S/c1-13(17-6-5-15(20)12-18(17)21)22-19(24)14-3-2-4-16(11-14)28(25,26)23-7-9-27-10-8-23/h2-6,11-13H,7-10H2,1H3,(H,22,24).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 410.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 84834881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).