4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide

C13H16N2O4S — CID 175091863

IUPAC4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N=CN2CCOCC2)cc1
InChIInChI=1S/C13H16N2O4S/c1-11(16)12-2-4-13(5-3-12)20(17,18)14-10-15-6-8-19-9-7-15/h2-5,10H,6-9H2,1H3
InChIKeyCMMLAMOOLCOCBR-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.94
Rot. Bonds4

About 4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide

4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide (PubChem CID 175091863) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
PubChem CID175091863
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N=CN2CCOCC2)cc1
InChIInChI=1S/C13H16N2O4S/c1-11(16)12-2-4-13(5-3-12)20(17,18)14-10-15-6-8-19-9-7-15/h2-5,10H,6-9H2,1H3
InChIKeyCMMLAMOOLCOCBR-UHFFFAOYSA-N
XLogP0.94
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
CID 167439578
1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
CID 82165517
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
1-(4-acetylphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 162164234
1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone
CID 11507029
N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate
CID 1235130
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 110405170
N-(morpholin-4-ylmethylidene)benzamide
CID 71741109
3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 78163324
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
tert-butyl 4-[(4-methylphenyl)sulfonyliminomethyl]piperazine-1-carboxylate
CID 175856555

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide (CID 175091863) is 4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N=CN2CCOCC2)cc1.
What is the InChIKey of 4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide?
The InChIKey is CMMLAMOOLCOCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-11(16)12-2-4-13(5-3-12)20(17,18)14-10-15-6-8-19-9-7-15/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide?
4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide is sourced from PubChem (CID 175091863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).