4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile

C12H14N2O4S — CID 78946237

IUPAC4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
SMILESCOc1ccc(S(=O)(=O)N2CCOC(C#N)C2)cc1
InChIInChI=1S/C12H14N2O4S/c1-17-10-2-4-12(5-3-10)19(15,16)14-6-7-18-11(8-13)9-14/h2-5,11H,6-7,9H2,1H3
InChIKeyGNDGEOLGJFWZIN-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.61
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile

4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile (PubChem CID 78946237) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
PubChem CID78946237
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
SMILESCOc1ccc(S(=O)(=O)N2CCOC(C#N)C2)cc1
InChIInChI=1S/C12H14N2O4S/c1-17-10-2-4-12(5-3-10)19(15,16)14-6-7-18-11(8-13)9-14/h2-5,11H,6-7,9H2,1H3
InChIKeyGNDGEOLGJFWZIN-UHFFFAOYSA-N
XLogP0.61
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile
CID 78946042
2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110643940
2-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110326898
4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79674215
2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine
CID 110327247
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 79675805
3-(2-cyanomorpholin-4-yl)sulfonylbenzoic acid
CID 79675140
4-(3-amino-4-nitrophenyl)sulfonylmorpholine-2-carbonitrile
CID 82847459
3-[4-(4-methoxyphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 110112775
4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79680999
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile (CID 78946237) is 4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile is COc1ccc(S(=O)(=O)N2CCOC(C#N)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile?
The InChIKey is GNDGEOLGJFWZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-17-10-2-4-12(5-3-10)19(15,16)14-6-7-18-11(8-13)9-14/h2-5,11H,6-7,9H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile?
4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile has a molecular weight of 282.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile is sourced from PubChem (CID 78946237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).