4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide

C12H18N2O3S — CID 70305963

IUPAC4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide
SMILESCC1COCC(C)N1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-9-7-17-8-10(2)14(9)11-3-5-12(6-4-11)18(13,15)16/h3-6,9-10H,7-8H2,1-2H3,(H2,13,15,16)
InChIKeyGQVBSLCDBMFKSX-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.95
Rot. Bonds2

About 4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide

4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide (PubChem CID 70305963) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide
PubChem CID70305963
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide
SMILESCC1COCC(C)N1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-9-7-17-8-10(2)14(9)11-3-5-12(6-4-11)18(13,15)16/h3-6,9-10H,7-8H2,1-2H3,(H2,13,15,16)
InChIKeyGQVBSLCDBMFKSX-UHFFFAOYSA-N
XLogP0.95
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 110637578
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]acetamide
CID 110637499
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide
CID 163312504
4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide
CID 1488674
[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl] 2,6-dimethylmorpholine-4-carbodithioate
CID 87047584
4-[(2R)-2-methyl-3-oxo-5H-1,4-benzoxazepin-4-yl]benzenesulfonamide
CID 97040549
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide
CID 110637516
4-thiomorpholin-4-ylbenzenesulfonamide
CID 146142612
4-(3-aminopyrazol-1-yl)benzenesulfonamide
CID 61176767

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide?
The IUPAC name of 4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide (CID 70305963) is 4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide is CC1COCC(C)N1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide?
The InChIKey is GQVBSLCDBMFKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-7-17-8-10(2)14(9)11-3-5-12(6-4-11)18(13,15)16/h3-6,9-10H,7-8H2,1-2H3,(H2,13,15,16).
What are the key properties of 4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide?
4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylmorpholin-4-yl)benzenesulfonamide is sourced from PubChem (CID 70305963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).