N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide

C18H19BrN4O3S — CID 10623465

IUPACN-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide
SMILESCCN(C)c1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OC)cccc12
InChIInChI=1S/C18H19BrN4O3S/c1-4-23(2)14-9-5-8-13-12(14)7-6-10-15(13)27(24,25)22-17-18(26-3)21-16(19)11-20-17/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyLTBGGVYTZUDEIJ-UHFFFAOYSA-N
MW451.35 g/mol
LogP3.66
Rot. Bonds6

About N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide

N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide (PubChem CID 10623465) has the molecular formula C18H19BrN4O3S and a molecular weight of 451.35 g/mol. Its IUPAC name is N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide
PubChem CID10623465
Molecular FormulaC18H19BrN4O3S
Molecular Weight451.35 g/mol
Exact Mass450.04
IUPAC NameN-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide
SMILESCCN(C)c1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OC)cccc12
InChIInChI=1S/C18H19BrN4O3S/c1-4-23(2)14-9-5-8-13-12(14)7-6-10-15(13)27(24,25)22-17-18(26-3)21-16(19)11-20-17/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyLTBGGVYTZUDEIJ-UHFFFAOYSA-N
XLogP3.66
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide?
The IUPAC name of N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide (CID 10623465) is N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide is CCN(C)c1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OC)cccc12.
What is the InChIKey of N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide?
The InChIKey is LTBGGVYTZUDEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O3S/c1-4-23(2)14-9-5-8-13-12(14)7-6-10-15(13)27(24,25)22-17-18(26-3)21-16(19)11-20-17/h5-11H,4H2,1-3H3,(H,20,22).
What are the key properties of N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide?
N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide has a molecular weight of 451.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide is sourced from PubChem (CID 10623465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).