7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C13H14ClN3O3S — CID 110712742

IUPAC7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCn2ccnc2C1
InChIInChI=1S/C13H14ClN3O3S/c1-20-11-3-2-10(14)8-12(11)21(18,19)17-7-6-16-5-4-15-13(16)9-17/h2-5,8H,6-7,9H2,1H3
InChIKeyKXBWMQLULCHTBX-UHFFFAOYSA-N
MW327.79 g/mol
LogP1.75
Rot. Bonds3

About 7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 110712742) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID110712742
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCn2ccnc2C1
InChIInChI=1S/C13H14ClN3O3S/c1-20-11-3-2-10(14)8-12(11)21(18,19)17-7-6-16-5-4-15-13(16)9-17/h2-5,8H,6-7,9H2,1H3
InChIKeyKXBWMQLULCHTBX-UHFFFAOYSA-N
XLogP1.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzenesulfonamide
CID 2990150
1-(5-Chloro-2-methoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole
CID 686064
1-(5-Chloro-2-methoxyphenyl)sulfonylimidazole
CID 775798
3-Chloro-N-(3-imidazol-1-yl-propyl)-4-methoxy-benzenesulfonamide
CID 6460510
1-(5-Chloro-2-methoxyphenyl)sulfonyl-2-propan-2-ylimidazole
CID 786051
1-(5-Chloro-2-methoxy-4-methyl-benzenesulfonyl)-2-methyl-1H-imidazole
CID 850091
1-[(5-chloro-2-methoxy-4-methylphenyl)sulfonyl]-1H-imidazole
CID 1259433
2-[(5-Chloro-2-methoxy-benzenesulfonyl)-methyl-amino]-N-(3-imidazol-1-yl-propyl)-acetamide
CID 6493717
1-((5-fluoro-2-methoxyphenyl)sulfonyl)-2-methyl-1H-imidazole
CID 18560683
1-(2-(1H-imidazol-1-yl)ethyl)-4-((5-fluoro-2-methoxyphenyl)sulfonyl)piperazine
CID 71788611
1-(5-Chloro-2-methoxy-benzenesulfonyl)-2-ethyl-1H-imidazole
CID 741691
1-(5-Chloro-2-methoxyphenyl)sulfonyl-2-methylimidazole
CID 6941942

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 110712742) is 7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is COc1ccc(Cl)cc1S(=O)(=O)N1CCn2ccnc2C1.
What is the InChIKey of 7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is KXBWMQLULCHTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-20-11-3-2-10(14)8-12(11)21(18,19)17-7-6-16-5-4-15-13(16)9-17/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 327.79 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 110712742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).