4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

C11H14ClFN2O3S — CID 106773826

IUPAC4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESC[C@@H]1COCCN1S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O3S/c1-7-6-18-3-2-15(7)19(16,17)11-5-10(14)9(13)4-8(11)12/h4-5,7H,2-3,6,14H2,1H3/t7-/m1/s1
InChIKeyQURUQDNCUSTNHS-SSDOTTSWSA-N
MW308.76 g/mol
LogP1.47
Rot. Bonds2

About 4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (PubChem CID 106773826) has the molecular formula C11H14ClFN2O3S and a molecular weight of 308.76 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
PubChem CID106773826
Molecular FormulaC11H14ClFN2O3S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC Name4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESC[C@@H]1COCCN1S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O3S/c1-7-6-18-3-2-15(7)19(16,17)11-5-10(14)9(13)4-8(11)12/h4-5,7H,2-3,6,14H2,1H3/t7-/m1/s1
InChIKeyQURUQDNCUSTNHS-SSDOTTSWSA-N
XLogP1.47
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline with MolForge

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

Launch Full Analysis

Related Compounds

2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
CID 54888902
4-chloro-2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 61113392
2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 107343186
4-chloro-2-fluoro-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62988467
4-(2-chloro-5-nitrophenyl)sulfonyl-3-methylmorpholine
CID 43429161
4-chloro-2-fluoro-5-pyrrolidin-1-ylsulfonylaniline
CID 61112827
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111095
[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 79187452
1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 61110983
4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline
CID 113375351

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The IUPAC name of 4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (CID 106773826) is 4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.
What is the SMILES notation for 4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The canonical SMILES for 4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is C[C@@H]1COCCN1S(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The InChIKey is QURUQDNCUSTNHS-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14ClFN2O3S/c1-7-6-18-3-2-15(7)19(16,17)11-5-10(14)9(13)4-8(11)12/h4-5,7H,2-3,6,14H2,1H3/t7-/m1/s1.
What are the key properties of 4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline has a molecular weight of 308.76 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is sourced from PubChem (CID 106773826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).