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

C17H17BrN4O3S — CID 10646616

IUPACN-(5-bromo-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCOc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H17BrN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)
InChIKeyJDNYZAWNISHXJL-UHFFFAOYSA-N
MW437.32 g/mol
LogP3.27
Rot. Bonds5

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

N-(5-bromo-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 10646616) has the molecular formula C17H17BrN4O3S and a molecular weight of 437.32 g/mol. Its IUPAC name is N-(5-bromo-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID10646616
Molecular FormulaC17H17BrN4O3S
Molecular Weight437.32 g/mol
Exact Mass436.02
IUPAC NameN-(5-bromo-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCOc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H17BrN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)
InChIKeyJDNYZAWNISHXJL-UHFFFAOYSA-N
XLogP3.27
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 53.27
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-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-bromo-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 10646616) is N-(5-bromo-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is COc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of N-(5-bromo-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is JDNYZAWNISHXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-(5-bromo-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(5-bromo-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 437.32 g/mol, XLogP of 3.27, 5 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-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10646616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).