3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline

C10H12ClFN2O3S — CID 43256882

IUPAC3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C10H12ClFN2O3S/c11-8-5-7(13)6-9(10(8)12)18(15,16)14-1-3-17-4-2-14/h5-6H,1-4,13H2
InChIKeyDKPBAOKFJJTZAX-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.08
Rot. Bonds2

About 3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline

3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline (PubChem CID 43256882) has the molecular formula C10H12ClFN2O3S and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline
PubChem CID43256882
Molecular FormulaC10H12ClFN2O3S
Molecular Weight294.74 g/mol
Exact Mass294.02
IUPAC Name3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C10H12ClFN2O3S/c11-8-5-7(13)6-9(10(8)12)18(15,16)14-1-3-17-4-2-14/h5-6H,1-4,13H2
InChIKeyDKPBAOKFJJTZAX-UHFFFAOYSA-N
XLogP1.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline 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-5-morpholin-4-ylsulfonylaniline?
The IUPAC name of 3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline (CID 43256882) is 3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline is Nc1cc(Cl)c(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline?
The InChIKey is DKPBAOKFJJTZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O3S/c11-8-5-7(13)6-9(10(8)12)18(15,16)14-1-3-17-4-2-14/h5-6H,1-4,13H2.
What are the key properties of 3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline?
3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline has a molecular weight of 294.74 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 43256882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).