4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile

C12H11N3O3S — CID 78946042

IUPAC4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile
SMILESN#Cc1cccc(S(=O)(=O)N2CCOC(C#N)C2)c1
InChIInChI=1S/C12H11N3O3S/c13-7-10-2-1-3-12(6-10)19(16,17)15-4-5-18-11(8-14)9-15/h1-3,6,11H,4-5,9H2
InChIKeyPSCFMSMXUBJWNE-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.47
Rot. Bonds2

About 4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile

4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile (PubChem CID 78946042) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile
PubChem CID78946042
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile
SMILESN#Cc1cccc(S(=O)(=O)N2CCOC(C#N)C2)c1
InChIInChI=1S/C12H11N3O3S/c13-7-10-2-1-3-12(6-10)19(16,17)15-4-5-18-11(8-14)9-15/h1-3,6,11H,4-5,9H2
InChIKeyPSCFMSMXUBJWNE-UHFFFAOYSA-N
XLogP0.47
TPSA94.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-cyanomorpholin-4-yl)sulfonylbenzoic acid
CID 79675140
4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile
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3-(3-hydroxypyrrolidin-1-yl)sulfonylbenzonitrile
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3-(3-methylpyrrolidin-1-yl)sulfonylbenzonitrile
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3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 119993572
3-(3,5-dimethylpiperazin-1-yl)sulfonylbenzonitrile
CID 63873096
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzonitrile
CID 7510224
4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 78946237
4-(3-amino-4-nitrophenyl)sulfonylmorpholine-2-carbonitrile
CID 82847459
3-(3-propan-2-ylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 76775717
3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 119972184
4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79674215

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile?
The IUPAC name of 4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile (CID 78946042) is 4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile?
The canonical SMILES for 4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile is N#Cc1cccc(S(=O)(=O)N2CCOC(C#N)C2)c1.
What is the InChIKey of 4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile?
The InChIKey is PSCFMSMXUBJWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c13-7-10-2-1-3-12(6-10)19(16,17)15-4-5-18-11(8-14)9-15/h1-3,6,11H,4-5,9H2.
What are the key properties of 4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile?
4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile has a molecular weight of 277.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile is sourced from PubChem (CID 78946042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).