N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide

C18H19BrN4O3S — CID 10671298

IUPACN-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCCOc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H19BrN4O3S/c1-4-26-18-17(20-11-16(19)21-18)22-27(24,25)15-10-6-7-12-13(15)8-5-9-14(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyMLJGSVQFLSTLQF-UHFFFAOYSA-N
MW451.35 g/mol
LogP3.66
Rot. Bonds6

About N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide

N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 10671298) has the molecular formula C18H19BrN4O3S and a molecular weight of 451.35 g/mol. Its IUPAC name is N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID10671298
Molecular FormulaC18H19BrN4O3S
Molecular Weight451.35 g/mol
Exact Mass450.04
IUPAC NameN-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCCOc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H19BrN4O3S/c1-4-26-18-17(20-11-16(19)21-18)22-27(24,25)15-10-6-7-12-13(15)8-5-9-14(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyMLJGSVQFLSTLQF-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-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 10671298) is N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is CCOc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is MLJGSVQFLSTLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O3S/c1-4-26-18-17(20-11-16(19)21-18)22-27(24,25)15-10-6-7-12-13(15)8-5-9-14(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22).
What are the key properties of N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)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-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10671298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).