1-(4-methylphenyl)sulfonyl-2H-pyrazine

C11H12N2O2S — CID 69191833

IUPAC1-(4-methylphenyl)sulfonyl-2H-pyrazine
SMILESCc1ccc(S(=O)(=O)N2C=CN=CC2)cc1
InChIInChI=1S/C11H12N2O2S/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13/h2-8H,9H2,1H3
InChIKeyHXZQYZYPFFTNAW-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.54
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-2H-pyrazine

1-(4-methylphenyl)sulfonyl-2H-pyrazine (PubChem CID 69191833) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2H-pyrazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2H-pyrazine
PubChem CID69191833
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-(4-methylphenyl)sulfonyl-2H-pyrazine
SMILESCc1ccc(S(=O)(=O)N2C=CN=CC2)cc1
InChIInChI=1S/C11H12N2O2S/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13/h2-8H,9H2,1H3
InChIKeyHXZQYZYPFFTNAW-UHFFFAOYSA-N
XLogP1.54
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
1-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazol-1-ium chloride
CID 71357438
acetic acid;4-(4-methylphenyl)sulfonyl-1,3-dihydropyrazin-2-one
CID 143186284
1-(4-methylphenyl)sulfonylazetidine-2,4-dione
CID 82664020
1,2,3-tris-(4-methylphenyl)sulfonyltriazonane
CID 19101087
(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 101406646
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
(8Z)-1,6-bis-(4-methylphenyl)sulfonyl-2,3,4,5,7,10-hexahydro-1,6-diazecine
CID 102269003
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1,4,6,9-tetrakis-(4-methylphenyl)sulfonyl-1,4,6,9-tetraza-5-silaspiro[4.4]nonane
CID 100926262
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
4-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 54671505

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2H-pyrazine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2H-pyrazine (CID 69191833) is 1-(4-methylphenyl)sulfonyl-2H-pyrazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2H-pyrazine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2H-pyrazine is Cc1ccc(S(=O)(=O)N2C=CN=CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2H-pyrazine?
The InChIKey is HXZQYZYPFFTNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-10-2-4-11(5-3-10)16(14,15)13-8-6-12-7-9-13/h2-8H,9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2H-pyrazine?
1-(4-methylphenyl)sulfonyl-2H-pyrazine has a molecular weight of 236.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2H-pyrazine is sourced from PubChem (CID 69191833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).