2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide

C13H13Cl2N3O2S — CID 164612160

IUPAC2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
SMILESCCN(c1cnc(C)cn1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H13Cl2N3O2S/c1-3-18(13-8-16-9(2)7-17-13)21(19,20)12-6-10(14)4-5-11(12)15/h4-8H,3H2,1-2H3
InChIKeyOFJMXOHMGVWMSY-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.31
Rot. Bonds4

About 2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide

2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide (PubChem CID 164612160) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
PubChem CID164612160
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC Name2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
SMILESCCN(c1cnc(C)cn1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H13Cl2N3O2S/c1-3-18(13-8-16-9(2)7-17-13)21(19,20)12-6-10(14)4-5-11(12)15/h4-8H,3H2,1-2H3
InChIKeyOFJMXOHMGVWMSY-UHFFFAOYSA-N
XLogP3.31
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide (CID 164612160) is 2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide is CCN(c1cnc(C)cn1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide?
The InChIKey is OFJMXOHMGVWMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-3-18(13-8-16-9(2)7-17-13)21(19,20)12-6-10(14)4-5-11(12)15/h4-8H,3H2,1-2H3.
What are the key properties of 2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide?
2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-ethyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 164612160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).