7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C14H16ClN3O2S — CID 63021232

IUPAC7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccc(CCCl)cc1)N1CCn2ccnc2C1
InChIInChI=1S/C14H16ClN3O2S/c15-6-5-12-1-3-13(4-2-12)21(19,20)18-10-9-17-8-7-16-14(17)11-18/h1-4,7-8H,5-6,9-11H2
InChIKeyQBRVTYUFNLTXID-UHFFFAOYSA-N
MW325.82 g/mol
LogP1.87
Rot. Bonds4

About 7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 63021232) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID63021232
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccc(CCCl)cc1)N1CCn2ccnc2C1
InChIInChI=1S/C14H16ClN3O2S/c15-6-5-12-1-3-13(4-2-12)21(19,20)18-10-9-17-8-7-16-14(17)11-18/h1-4,7-8H,5-6,9-11H2
InChIKeyQBRVTYUFNLTXID-UHFFFAOYSA-N
XLogP1.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 63021232) is 7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is O=S(=O)(c1ccc(CCCl)cc1)N1CCn2ccnc2C1.
What is the InChIKey of 7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is QBRVTYUFNLTXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-6-5-12-1-3-13(4-2-12)21(19,20)18-10-9-17-8-7-16-14(17)11-18/h1-4,7-8H,5-6,9-11H2.
What are the key properties of 7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 325.82 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 63021232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).