2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride

C7H9ClN2O4S2 — CID 83064968

IUPAC2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride
SMILESCc1nccnc1S(=O)(=O)CCS(=O)(=O)Cl
InChIInChI=1S/C7H9ClN2O4S2/c1-6-7(10-3-2-9-6)15(11,12)4-5-16(8,13)14/h2-3H,4-5H2,1H3
InChIKeyOTFVNIVHPPOPIO-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.13
Rot. Bonds4

About 2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride

2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride (PubChem CID 83064968) has the molecular formula C7H9ClN2O4S2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride
PubChem CID83064968
Molecular FormulaC7H9ClN2O4S2
Molecular Weight284.75 g/mol
Exact Mass283.97
IUPAC Name2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride
SMILESCc1nccnc1S(=O)(=O)CCS(=O)(=O)Cl
InChIInChI=1S/C7H9ClN2O4S2/c1-6-7(10-3-2-9-6)15(11,12)4-5-16(8,13)14/h2-3H,4-5H2,1H3
InChIKeyOTFVNIVHPPOPIO-UHFFFAOYSA-N
XLogP0.13
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride?
The IUPAC name of 2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride (CID 83064968) is 2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride.
What is the SMILES notation for 2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride?
The canonical SMILES for 2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride is Cc1nccnc1S(=O)(=O)CCS(=O)(=O)Cl.
What is the InChIKey of 2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride?
The InChIKey is OTFVNIVHPPOPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O4S2/c1-6-7(10-3-2-9-6)15(11,12)4-5-16(8,13)14/h2-3H,4-5H2,1H3.
What are the key properties of 2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride?
2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride has a molecular weight of 284.75 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride is sourced from PubChem (CID 83064968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).