4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide

C21H26N2O4S — CID 25331350

IUPAC4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1C
InChIInChI=1S/C21H26N2O4S/c1-14-6-5-7-20(17(14)4)22-28(25,26)19-10-8-18(9-11-19)21(24)23-12-15(2)27-16(3)13-23/h5-11,15-16,22H,12-13H2,1-4H3/t15-,16+
InChIKeyFPRQSKDUOBBMFC-IYBDPMFKSA-N
MW402.52 g/mol
LogP3.35
Rot. Bonds4

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

4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide (PubChem CID 25331350) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide
PubChem CID25331350
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1C
InChIInChI=1S/C21H26N2O4S/c1-14-6-5-7-20(17(14)4)22-28(25,26)19-10-8-18(9-11-19)21(24)23-12-15(2)27-16(3)13-23/h5-11,15-16,22H,12-13H2,1-4H3/t15-,16+
InChIKeyFPRQSKDUOBBMFC-IYBDPMFKSA-N
XLogP3.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide;hydrochloride
CID 120657556
4-(4-cyanopiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 49064443
ethyl 4-[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 43002330
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 24979496
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
3-(2,6-dimethylmorpholine-4-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 24981051
4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663361
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 18108400
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide
CID 136541828
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 119376026

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide (CID 25331350) is 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1C.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide?
The InChIKey is FPRQSKDUOBBMFC-IYBDPMFKSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14-6-5-7-20(17(14)4)22-28(25,26)19-10-8-18(9-11-19)21(24)23-12-15(2)27-16(3)13-23/h5-11,15-16,22H,12-13H2,1-4H3/t15-,16+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide?
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 25331350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).