3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide

C10H8Cl2N4O2S2 — CID 166465350

IUPAC3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide
SMILESNc1nc(Cl)cnc1Sc1cccc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C10H8Cl2N4O2S2/c11-7-4-15-10(9(13)16-7)19-5-2-1-3-6(8(5)12)20(14,17)18/h1-4H,(H2,13,16)(H2,14,17,18)
InChIKeyJYKCAEVDKSXOQL-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.16
Rot. Bonds3

About 3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide

3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide (PubChem CID 166465350) has the molecular formula C10H8Cl2N4O2S2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide
PubChem CID166465350
Molecular FormulaC10H8Cl2N4O2S2
Molecular Weight351.24 g/mol
Exact Mass349.95
IUPAC Name3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide
SMILESNc1nc(Cl)cnc1Sc1cccc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C10H8Cl2N4O2S2/c11-7-4-15-10(9(13)16-7)19-5-2-1-3-6(8(5)12)20(14,17)18/h1-4H,(H2,13,16)(H2,14,17,18)
InChIKeyJYKCAEVDKSXOQL-UHFFFAOYSA-N
XLogP2.16
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide?
The IUPAC name of 3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide (CID 166465350) is 3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide.
What is the SMILES notation for 3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide?
The canonical SMILES for 3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide is Nc1nc(Cl)cnc1Sc1cccc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide?
The InChIKey is JYKCAEVDKSXOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2S2/c11-7-4-15-10(9(13)16-7)19-5-2-1-3-6(8(5)12)20(14,17)18/h1-4H,(H2,13,16)(H2,14,17,18).
What are the key properties of 3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide?
3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide has a molecular weight of 351.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-chloropyrazin-2-yl)sulfanyl-2-chlorobenzenesulfonamide is sourced from PubChem (CID 166465350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).