N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide

C20H20Cl2N4O4S — CID 69421245

IUPACN-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
SMILESCOc1nc(Oc2ccc(CC(C)N)cc2)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H20Cl2N4O4S/c1-12(23)10-13-6-8-14(9-7-13)30-17-11-24-19(20(25-17)29-2)26-31(27,28)16-5-3-4-15(21)18(16)22/h3-9,11-12H,10,23H2,1-2H3,(H,24,26)
InChIKeyMAEOHFPAXUGFJZ-UHFFFAOYSA-N
MW483.38 g/mol
LogP4.27
Rot. Bonds8

About N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide

N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide (PubChem CID 69421245) has the molecular formula C20H20Cl2N4O4S and a molecular weight of 483.38 g/mol. Its IUPAC name is N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
PubChem CID69421245
Molecular FormulaC20H20Cl2N4O4S
Molecular Weight483.38 g/mol
Exact Mass482.06
IUPAC NameN-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
SMILESCOc1nc(Oc2ccc(CC(C)N)cc2)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H20Cl2N4O4S/c1-12(23)10-13-6-8-14(9-7-13)30-17-11-24-19(20(25-17)29-2)26-31(27,28)16-5-3-4-15(21)18(16)22/h3-9,11-12H,10,23H2,1-2H3,(H,24,26)
InChIKeyMAEOHFPAXUGFJZ-UHFFFAOYSA-N
XLogP4.27
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.38
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide (CID 69421245) is N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide is COc1nc(Oc2ccc(CC(C)N)cc2)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The InChIKey is MAEOHFPAXUGFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O4S/c1-12(23)10-13-6-8-14(9-7-13)30-17-11-24-19(20(25-17)29-2)26-31(27,28)16-5-3-4-15(21)18(16)22/h3-9,11-12H,10,23H2,1-2H3,(H,24,26).
What are the key properties of N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide has a molecular weight of 483.38 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-aminopropyl)phenoxy]-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 69421245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).