[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

C19H17Cl2FN2O6S — CID 16527076

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C19H17Cl2FN2O6S/c20-13-10-14(21)17(31(27,28)24-5-7-29-8-6-24)9-12(13)19(26)30-11-18(25)23-16-4-2-1-3-15(16)22/h1-4,9-10H,5-8,11H2,(H,23,25)
InChIKeyWSJXMYHNSLEDSM-UHFFFAOYSA-N
MW491.32 g/mol
LogP2.95
Rot. Bonds6

About [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 16527076) has the molecular formula C19H17Cl2FN2O6S and a molecular weight of 491.32 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID16527076
Molecular FormulaC19H17Cl2FN2O6S
Molecular Weight491.32 g/mol
Exact Mass490.02
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C19H17Cl2FN2O6S/c20-13-10-14(21)17(31(27,28)24-5-7-29-8-6-24)9-12(13)19(26)30-11-18(25)23-16-4-2-1-3-15(16)22/h1-4,9-10H,5-8,11H2,(H,23,25)
InChIKeyWSJXMYHNSLEDSM-UHFFFAOYSA-N
XLogP2.95
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate with MolForge

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Related Compounds

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16596185
[2-oxo-2-(propan-2-ylamino)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 16527052
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4692168
[2-oxo-2-(pentan-2-ylamino)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4566884
(2-morpholin-4-yl-2-oxoethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2432075
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 55313620
2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518137
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55316003
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1087710
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 4854301
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521432
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2360430

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (CID 16527076) is [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is WSJXMYHNSLEDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O6S/c20-13-10-14(21)17(31(27,28)24-5-7-29-8-6-24)9-12(13)19(26)30-11-18(25)23-16-4-2-1-3-15(16)22/h1-4,9-10H,5-8,11H2,(H,23,25).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 491.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16527076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).