2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide

C19H17Cl2FN4O4S — CID 71206513

IUPAC2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide
SMILESCNCc1ccc(Oc2cnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c(OC)n2)cc1F
InChIInChI=1S/C19H17Cl2FN4O4S/c1-23-9-11-6-7-12(8-14(11)22)30-16-10-24-18(19(25-16)29-2)26-31(27,28)15-5-3-4-13(20)17(15)21/h3-8,10,23H,9H2,1-2H3,(H,24,26)
InChIKeyIMPJDZFMWBIENY-UHFFFAOYSA-N
MW487.34 g/mol
LogP4.24
Rot. Bonds8

About 2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide

2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide (PubChem CID 71206513) has the molecular formula C19H17Cl2FN4O4S and a molecular weight of 487.34 g/mol. Its IUPAC name is 2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide
PubChem CID71206513
Molecular FormulaC19H17Cl2FN4O4S
Molecular Weight487.34 g/mol
Exact Mass486.03
IUPAC Name2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide
SMILESCNCc1ccc(Oc2cnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c(OC)n2)cc1F
InChIInChI=1S/C19H17Cl2FN4O4S/c1-23-9-11-6-7-12(8-14(11)22)30-16-10-24-18(19(25-16)29-2)26-31(27,28)15-5-3-4-13(20)17(15)21/h3-8,10,23H,9H2,1-2H3,(H,24,26)
InChIKeyIMPJDZFMWBIENY-UHFFFAOYSA-N
XLogP4.24
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.34
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide (CID 71206513) is 2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide is CNCc1ccc(Oc2cnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c(OC)n2)cc1F.
What is the InChIKey of 2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide?
The InChIKey is IMPJDZFMWBIENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN4O4S/c1-23-9-11-6-7-12(8-14(11)22)30-16-10-24-18(19(25-16)29-2)26-31(27,28)15-5-3-4-13(20)17(15)21/h3-8,10,23H,9H2,1-2H3,(H,24,26).
What are the key properties of 2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide?
2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide has a molecular weight of 487.34 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[5-[3-fluoro-4-(methylaminomethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 71206513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).