3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide

C20H24N2O4S — CID 110637706

IUPAC3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(N3CCOCC3(C)C)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-15(23)16-5-4-6-19(13-16)27(24,25)21-17-7-9-18(10-8-17)22-11-12-26-14-20(22,2)3/h4-10,13,21H,11-12,14H2,1-3H3
InChIKeyCUODRJWRXTWLTK-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.31
Rot. Bonds5

About 3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide

3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide (PubChem CID 110637706) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide
PubChem CID110637706
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(N3CCOCC3(C)C)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-15(23)16-5-4-6-19(13-16)27(24,25)21-17-7-9-18(10-8-17)22-11-12-26-14-20(22,2)3/h4-10,13,21H,11-12,14H2,1-3H3
InChIKeyCUODRJWRXTWLTK-UHFFFAOYSA-N
XLogP3.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637672
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 110637679
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide
CID 110637700
3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
CID 110408865
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595569
3-acetyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122326167
3-acetyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 122288188
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110408957

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide (CID 110637706) is 3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc(N3CCOCC3(C)C)cc2)c1.
What is the InChIKey of 3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide?
The InChIKey is CUODRJWRXTWLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15(23)16-5-4-6-19(13-16)27(24,25)21-17-7-9-18(10-8-17)22-11-12-26-14-20(22,2)3/h4-10,13,21H,11-12,14H2,1-3H3.
What are the key properties of 3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide?
3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110637706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).