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

C20H23ClN2O4S — CID 3549443

IUPAC3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCC1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)CC(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
InChIKeyGLYJPZCURRXREL-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.07
Rot. Bonds5

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

3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3549443) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID3549443
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCC1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)CC(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
InChIKeyGLYJPZCURRXREL-UHFFFAOYSA-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

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Related Compounds

3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 32684364
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 2213121
N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide
CID 42997440
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2531360
N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide
CID 2331634
5-chloro-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]benzonitrile
CID 133285979
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide
CID 45273834
4-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 78862459
3-[[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]methyl]benzoic acid
CID 122030703
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 27660858

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide (CID 3549443) is 3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide is CC1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)CC(C)O1.
What is the InChIKey of 3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is GLYJPZCURRXREL-UHFFFAOYSA-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.
What are the key properties of 3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
3-chloro-N-[[4-(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-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3549443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).