6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile

C15H14N4O3S — CID 57335045

IUPAC6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCC(S(=O)(=O)c3ccc(O)cc3)C2)n1
InChIInChI=1S/C15H14N4O3S/c16-7-11-8-17-9-15(18-11)19-6-5-14(10-19)23(21,22)13-3-1-12(20)2-4-13/h1-4,8-9,14,20H,5-6,10H2
InChIKeySMEBLRVJSARLQX-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.11
Rot. Bonds3

About 6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile

6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 57335045) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID57335045
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCC(S(=O)(=O)c3ccc(O)cc3)C2)n1
InChIInChI=1S/C15H14N4O3S/c16-7-11-8-17-9-15(18-11)19-6-5-14(10-19)23(21,22)13-3-1-12(20)2-4-13/h1-4,8-9,14,20H,5-6,10H2
InChIKeySMEBLRVJSARLQX-UHFFFAOYSA-N
XLogP1.11
TPSA107.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-(4-Hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile
CID 174686065
4-[(3-Methylimidazol-4-yl)methylsulfanyl]phenol
CID 66141564
4-[(3-Propylimidazol-4-yl)methylsulfanyl]phenol
CID 66153229
4-[(3-Propan-2-ylimidazol-4-yl)methylsulfanyl]phenol
CID 66154617
4-[(3-Ethylimidazol-4-yl)methylsulfanyl]phenol
CID 66154929
4-[(3-Cyclopropylimidazol-4-yl)methylsulfanyl]phenol
CID 66155224
4-[(5-Aminopyrazin-2-yl)methylsulfanyl]phenol
CID 103059998
4-[[5-(Methylamino)pyrazin-2-yl]methylsulfanyl]phenol
CID 103059999
4-[[5-(Propylamino)pyrazin-2-yl]methylsulfanyl]phenol
CID 103060000
4-[[5-(Ethylamino)pyrazin-2-yl]methylsulfanyl]phenol
CID 103060002
3-[[5-(Ethylamino)pyrazin-2-yl]methylsulfanyl]phenol
CID 113770350

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 57335045) is 6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cncc(N2CCC(S(=O)(=O)c3ccc(O)cc3)C2)n1.
What is the InChIKey of 6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is SMEBLRVJSARLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c16-7-11-8-17-9-15(18-11)19-6-5-14(10-19)23(21,22)13-3-1-12(20)2-4-13/h1-4,8-9,14,20H,5-6,10H2.
What are the key properties of 6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 330.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-hydroxyphenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 57335045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).