3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

C19H21FN2O5S — CID 16895102

IUPAC3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C19H21FN2O5S/c1-26-17-8-7-15(11-16(17)20)28(24,25)21-12-19(23)22-9-10-27-18(13-22)14-5-3-2-4-6-14/h2-8,11,18,21H,9-10,12-13H2,1H3
InChIKeyUXGZTUOZRBMPDS-UHFFFAOYSA-N
MW408.45 g/mol
LogP1.71
Rot. Bonds6

About 3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 16895102) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID16895102
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C19H21FN2O5S/c1-26-17-8-7-15(11-16(17)20)28(24,25)21-12-19(23)22-9-10-27-18(13-22)14-5-3-2-4-6-14/h2-8,11,18,21H,9-10,12-13H2,1H3
InChIKeyUXGZTUOZRBMPDS-UHFFFAOYSA-N
XLogP1.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895090
2,3,4,5,6-pentamethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895082
2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895086
5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895132
5-chloro-2-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16894767
2-chloro-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 27375956
2,5-dimethoxy-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16895157
3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 30851072
3,4-dimethoxy-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892679
N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 30851197
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-4-propan-2-ylbenzenesulfonamide
CID 16895203
N-[2-fluoro-4-[2-(2-phenylmorpholin-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 16892734

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 16895102) is 3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is UXGZTUOZRBMPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-26-17-8-7-15(11-16(17)20)28(24,25)21-12-19(23)22-9-10-27-18(13-22)14-5-3-2-4-6-14/h2-8,11,18,21H,9-10,12-13H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 408.45 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16895102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).