4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide

C14H19ClN2O4S — CID 34281083

IUPAC4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H19ClN2O4S/c1-9-7-17(8-10(2)21-9)14(18)12-6-11(4-5-13(12)15)22(19,20)16-3/h4-6,9-10,16H,7-8H2,1-3H3/t9-,10+
InChIKeyCPRNKPIKKOWROI-AOOOYVTPSA-N
MW346.84 g/mol
LogP1.50
Rot. Bonds3

About 4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide

4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 34281083) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
PubChem CID34281083
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H19ClN2O4S/c1-9-7-17(8-10(2)21-9)14(18)12-6-11(4-5-13(12)15)22(19,20)16-3/h4-6,9-10,16H,7-8H2,1-3H3/t9-,10+
InChIKeyCPRNKPIKKOWROI-AOOOYVTPSA-N
XLogP1.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide 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

4-chloro-3-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 43005311
(2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 47004692
N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
CID 94538564
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylfuran-2-sulfonamide
CID 39878222
[5-chloro-2-(methylamino)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172046
[5-chloro-2-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960487
4-[(Z)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxoprop-1-enyl]-N-methylbenzenesulfonamide
CID 94654483
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide
CID 2331634
4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 24575619
(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580
4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 55524756

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide (CID 34281083) is 4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of 4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is CPRNKPIKKOWROI-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-9-7-17(8-10(2)21-9)14(18)12-6-11(4-5-13(12)15)22(19,20)16-3/h4-6,9-10,16H,7-8H2,1-3H3/t9-,10+.
What are the key properties of 4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide?
4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 346.84 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 34281083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).