2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide

C21H20ClN5O4S — CID 59485676

IUPAC2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCN1C[C@H](c2cccc(Oc3cnccn3)c2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H20ClN5O4S/c22-16-4-6-17(7-5-16)27-19(14-26(21(27)28)10-11-32(23,29)30)15-2-1-3-18(12-15)31-20-13-24-8-9-25-20/h1-9,12-13,19H,10-11,14H2,(H2,23,29,30)/t19-/m1/s1
InChIKeyRNDOJRGJHXSODO-LJQANCHMSA-N
MW473.94 g/mol
LogP3.19
Rot. Bonds7

About 2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide

2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide (PubChem CID 59485676) has the molecular formula C21H20ClN5O4S and a molecular weight of 473.94 g/mol. Its IUPAC name is 2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide
PubChem CID59485676
Molecular FormulaC21H20ClN5O4S
Molecular Weight473.94 g/mol
Exact Mass473.09
IUPAC Name2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCN1C[C@H](c2cccc(Oc3cnccn3)c2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H20ClN5O4S/c22-16-4-6-17(7-5-16)27-19(14-26(21(27)28)10-11-32(23,29)30)15-2-1-3-18(12-15)31-20-13-24-8-9-25-20/h1-9,12-13,19H,10-11,14H2,(H2,23,29,30)/t19-/m1/s1
InChIKeyRNDOJRGJHXSODO-LJQANCHMSA-N
XLogP3.19
TPSA118.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide?
The IUPAC name of 2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide (CID 59485676) is 2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide is NS(=O)(=O)CCN1C[C@H](c2cccc(Oc3cnccn3)c2)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide?
The InChIKey is RNDOJRGJHXSODO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20ClN5O4S/c22-16-4-6-17(7-5-16)27-19(14-26(21(27)28)10-11-32(23,29)30)15-2-1-3-18(12-15)31-20-13-24-8-9-25-20/h1-9,12-13,19H,10-11,14H2,(H2,23,29,30)/t19-/m1/s1.
What are the key properties of 2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide?
2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide has a molecular weight of 473.94 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3-(4-chlorophenyl)-2-oxo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 59485676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).