4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride

C19H18ClF2NO5S — CID 177256779

IUPAC4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride
SMILESO=C(C(OCc1cc(F)ccc1Cl)c1ccc(S(=O)(=O)F)cc1)N1CCOCC1
InChIInChI=1S/C19H18ClF2NO5S/c20-17-6-3-15(21)11-14(17)12-28-18(19(24)23-7-9-27-10-8-23)13-1-4-16(5-2-13)29(22,25)26/h1-6,11,18H,7-10,12H2
InChIKeyVKRCJLVYCLWTCC-UHFFFAOYSA-N
MW445.87 g/mol
LogP3.25
Rot. Bonds6

About 4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride

4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride (PubChem CID 177256779) has the molecular formula C19H18ClF2NO5S and a molecular weight of 445.87 g/mol. Its IUPAC name is 4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride
PubChem CID177256779
Molecular FormulaC19H18ClF2NO5S
Molecular Weight445.87 g/mol
Exact Mass445.06
IUPAC Name4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride
SMILESO=C(C(OCc1cc(F)ccc1Cl)c1ccc(S(=O)(=O)F)cc1)N1CCOCC1
InChIInChI=1S/C19H18ClF2NO5S/c20-17-6-3-15(21)11-14(17)12-28-18(19(24)23-7-9-27-10-8-23)13-1-4-16(5-2-13)29(22,25)26/h1-6,11,18H,7-10,12H2
InChIKeyVKRCJLVYCLWTCC-UHFFFAOYSA-N
XLogP3.25
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.87
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride?
The IUPAC name of 4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride (CID 177256779) is 4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride is O=C(C(OCc1cc(F)ccc1Cl)c1ccc(S(=O)(=O)F)cc1)N1CCOCC1.
What is the InChIKey of 4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride?
The InChIKey is VKRCJLVYCLWTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2NO5S/c20-17-6-3-15(21)11-14(17)12-28-18(19(24)23-7-9-27-10-8-23)13-1-4-16(5-2-13)29(22,25)26/h1-6,11,18H,7-10,12H2.
What are the key properties of 4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride?
4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride has a molecular weight of 445.87 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-chloro-5-fluorophenyl)methoxy]-2-morpholin-4-yl-2-oxoethyl]benzenesulfonyl fluoride is sourced from PubChem (CID 177256779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).