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

C18H18ClFN2O4S — CID 16895087

IUPAC3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H18ClFN2O4S/c19-15-10-14(6-7-16(15)20)27(24,25)21-11-18(23)22-8-9-26-17(12-22)13-4-2-1-3-5-13/h1-7,10,17,21H,8-9,11-12H2
InChIKeyDRRYXOJPMRDMIN-UHFFFAOYSA-N
MW412.87 g/mol
LogP2.36
Rot. Bonds5

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

3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 16895087) has the molecular formula C18H18ClFN2O4S and a molecular weight of 412.87 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID16895087
Molecular FormulaC18H18ClFN2O4S
Molecular Weight412.87 g/mol
Exact Mass412.07
IUPAC Name3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H18ClFN2O4S/c19-15-10-14(6-7-16(15)20)27(24,25)21-11-18(23)22-8-9-26-17(12-22)13-4-2-1-3-5-13/h1-7,10,17,21H,8-9,11-12H2
InChIKeyDRRYXOJPMRDMIN-UHFFFAOYSA-N
XLogP2.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide 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 3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 16895087) is 3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is DRRYXOJPMRDMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4S/c19-15-10-14(6-7-16(15)20)27(24,25)21-11-18(23)22-8-9-26-17(12-22)13-4-2-1-3-5-13/h1-7,10,17,21H,8-9,11-12H2.
What are the key properties of 3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 412.87 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16895087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).