3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide

C17H14Cl2N4O3S — CID 118724125

IUPAC3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H14Cl2N4O3S/c1-26-12-5-6-14(19)15(10-12)22-16-17(21-8-7-20-16)23-27(24,25)13-4-2-3-11(18)9-13/h2-10H,1H3,(H,20,22)(H,21,23)
InChIKeyHAYYTQLBFFAEGL-UHFFFAOYSA-N
MW425.30 g/mol
LogP4.34
Rot. Bonds6

About 3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide

3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide (PubChem CID 118724125) has the molecular formula C17H14Cl2N4O3S and a molecular weight of 425.30 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide
PubChem CID118724125
Molecular FormulaC17H14Cl2N4O3S
Molecular Weight425.30 g/mol
Exact Mass424.02
IUPAC Name3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide
SMILESCOc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H14Cl2N4O3S/c1-26-12-5-6-14(19)15(10-12)22-16-17(21-8-7-20-16)23-27(24,25)13-4-2-3-11(18)9-13/h2-10H,1H3,(H,20,22)(H,21,23)
InChIKeyHAYYTQLBFFAEGL-UHFFFAOYSA-N
XLogP4.34
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide (CID 118724125) is 3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide is COc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is HAYYTQLBFFAEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3S/c1-26-12-5-6-14(19)15(10-12)22-16-17(21-8-7-20-16)23-27(24,25)13-4-2-3-11(18)9-13/h2-10H,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide?
3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 425.30 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 118724125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).