4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile

C9H9ClN4O3S — CID 79674215

IUPAC4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)c2cnc(Cl)nc2)CCO1
InChIInChI=1S/C9H9ClN4O3S/c10-9-12-4-8(5-13-9)18(15,16)14-1-2-17-7(3-11)6-14/h4-5,7H,1-2,6H2
InChIKeyQMZGFLTXHCUWTG-UHFFFAOYSA-N
MW288.72 g/mol
LogP0.04
Rot. Bonds2

About 4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile

4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile (PubChem CID 79674215) has the molecular formula C9H9ClN4O3S and a molecular weight of 288.72 g/mol. Its IUPAC name is 4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
PubChem CID79674215
Molecular FormulaC9H9ClN4O3S
Molecular Weight288.72 g/mol
Exact Mass288.01
IUPAC Name4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)c2cnc(Cl)nc2)CCO1
InChIInChI=1S/C9H9ClN4O3S/c10-9-12-4-8(5-13-9)18(15,16)14-1-2-17-7(3-11)6-14/h4-5,7H,1-2,6H2
InChIKeyQMZGFLTXHCUWTG-UHFFFAOYSA-N
XLogP0.04
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.72
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79680999
4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 79671468
4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine
CID 43562747
4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 79675805
4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 78946237
4-(3-cyanophenyl)sulfonylmorpholine-2-carbonitrile
CID 78946042
2-[4-(2-cyanomorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
CID 79675332
4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile
CID 79676095
3-(2-cyanomorpholin-4-yl)sulfonylbenzoic acid
CID 79675140
4-(3-amino-4-hydroxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 79674690
4-(3-amino-4-nitrophenyl)sulfonylmorpholine-2-carbonitrile
CID 82847459
4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile
CID 107327297

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile?
The IUPAC name of 4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile (CID 79674215) is 4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile?
The canonical SMILES for 4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile is N#CC1CN(S(=O)(=O)c2cnc(Cl)nc2)CCO1.
What is the InChIKey of 4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile?
The InChIKey is QMZGFLTXHCUWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O3S/c10-9-12-4-8(5-13-9)18(15,16)14-1-2-17-7(3-11)6-14/h4-5,7H,1-2,6H2.
What are the key properties of 4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile?
4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile has a molecular weight of 288.72 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile is sourced from PubChem (CID 79674215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).