2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine

C19H17ClN6O3S — CID 59485665

IUPAC2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine
SMILESNS(=O)(=O)NC1=NC[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN6O3S/c20-14-4-6-15(7-5-14)26-17(11-24-19(26)25-30(21,27)28)13-2-1-3-16(10-13)29-18-12-22-8-9-23-18/h1-10,12,17H,11H2,(H,24,25)(H2,21,27,28)/t17-/m1/s1
InChIKeyUIMCUBSRWOKHJE-QGZVFWFLSA-N
MW444.90 g/mol
LogP2.63
Rot. Bonds5

About 2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine

2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine (PubChem CID 59485665) has the molecular formula C19H17ClN6O3S and a molecular weight of 444.90 g/mol. Its IUPAC name is 2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine.

Molecular Properties

Compound Name2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine
PubChem CID59485665
Molecular FormulaC19H17ClN6O3S
Molecular Weight444.90 g/mol
Exact Mass444.08
IUPAC Name2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine
SMILESNS(=O)(=O)NC1=NC[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN6O3S/c20-14-4-6-15(7-5-14)26-17(11-24-19(26)25-30(21,27)28)13-2-1-3-16(10-13)29-18-12-22-8-9-23-18/h1-10,12,17H,11H2,(H,24,25)(H2,21,27,28)/t17-/m1/s1
InChIKeyUIMCUBSRWOKHJE-QGZVFWFLSA-N
XLogP2.63
TPSA122.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.90
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine?
The IUPAC name of 2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine (CID 59485665) is 2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine.
What is the SMILES notation for 2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine?
The canonical SMILES for 2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine is NS(=O)(=O)NC1=NC[C@H](c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine?
The InChIKey is UIMCUBSRWOKHJE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17ClN6O3S/c20-14-4-6-15(7-5-14)26-17(11-24-19(26)25-30(21,27)28)13-2-1-3-16(10-13)29-18-12-22-8-9-23-18/h1-10,12,17H,11H2,(H,24,25)(H2,21,27,28)/t17-/m1/s1.
What are the key properties of 2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine?
2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine has a molecular weight of 444.90 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4S)-3-(4-chlorophenyl)-2-(sulfamoylamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine is sourced from PubChem (CID 59485665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).