(2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile

C18H15N3O4S — CID 2058698

IUPAC(2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile
SMILESN#C[C@@H](c1nc2ccccc2nc1OCCO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15N3O4S/c19-12-16(26(23,24)13-6-2-1-3-7-13)17-18(25-11-10-22)21-15-9-5-4-8-14(15)20-17/h1-9,16,22H,10-11H2/t16-/m0/s1
InChIKeyGVDLLUONXYQSES-INIZCTEOSA-N
MW369.40 g/mol
LogP2.04
Rot. Bonds6

About (2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile

(2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile (PubChem CID 2058698) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is (2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile.

Molecular Properties

Compound Name(2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile
PubChem CID2058698
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name(2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile
SMILESN#C[C@@H](c1nc2ccccc2nc1OCCO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15N3O4S/c19-12-16(26(23,24)13-6-2-1-3-7-13)17-18(25-11-10-22)21-15-9-5-4-8-14(15)20-17/h1-9,16,22H,10-11H2/t16-/m0/s1
InChIKeyGVDLLUONXYQSES-INIZCTEOSA-N
XLogP2.04
TPSA113.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile?
The IUPAC name of (2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile (CID 2058698) is (2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile.
What is the SMILES notation for (2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile?
The canonical SMILES for (2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile is N#C[C@@H](c1nc2ccccc2nc1OCCO)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile?
The InChIKey is GVDLLUONXYQSES-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15N3O4S/c19-12-16(26(23,24)13-6-2-1-3-7-13)17-18(25-11-10-22)21-15-9-5-4-8-14(15)20-17/h1-9,16,22H,10-11H2/t16-/m0/s1.
What are the key properties of (2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile?
(2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile has a molecular weight of 369.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzenesulfonyl)-2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]acetonitrile is sourced from PubChem (CID 2058698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).