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

C20H23ClN2O4S — CID 984483

IUPAC3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide
SMILESC[C@@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H23ClN2O4S/c1-14-12-23(13-15(2)27-14)20(24)17-8-6-16(7-9-17)11-22-28(25,26)19-5-3-4-18(21)10-19/h3-10,14-15,22H,11-13H2,1-2H3/t14-,15+
InChIKeyGLYJPZCURRXREL-GASCZTMLSA-N
MW422.93 g/mol
LogP3.07
Rot. Bonds5

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

3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide (PubChem CID 984483) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide
PubChem CID984483
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide
SMILESC[C@@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H23ClN2O4S/c1-14-12-23(13-15(2)27-14)20(24)17-8-6-16(7-9-17)11-22-28(25,26)19-5-3-4-18(21)10-19/h3-10,14-15,22H,11-13H2,1-2H3/t14-,15+
InChIKeyGLYJPZCURRXREL-GASCZTMLSA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
CID 155529361
2,5-dimethyl-N-[4-(4-morpholinylcarbonyl)benzyl]benzenesulfonamide
CID 984387
3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984480
3-chloro-4-fluoro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984858
(2-Chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 4091740
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4846716
[4-Chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone
CID 4877373
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 16385430
4-[(3-Chlorophenylsulfonamido)methyl]-N-cycloheptyl-N-propylbenzamide
CID 44250316
2-Chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide
CID 126507944
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-chloro-benzamide
CID 130431446
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chloro-benzamide
CID 130431453

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide (CID 984483) is 3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide is C[C@@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@H](C)O1.
What is the InChIKey of 3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is GLYJPZCURRXREL-GASCZTMLSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14-12-23(13-15(2)27-14)20(24)17-8-6-16(7-9-17)11-22-28(25,26)19-5-3-4-18(21)10-19/h3-10,14-15,22H,11-13H2,1-2H3/t14-,15+.
What are the key properties of 3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide?
3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 422.93 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 984483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).