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

C17H17BrN4O3S — CID 10670600

IUPACN-(5-bromo-3-methoxypyrazin-2-yl)-5-(ethylamino)naphthalene-1-sulfonamide
SMILESCCNc1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OC)cccc12
InChIInChI=1S/C17H17BrN4O3S/c1-3-19-13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)22-16-17(25-2)21-15(18)10-20-16/h4-10,19H,3H2,1-2H3,(H,20,22)
InChIKeyYDPOXHCJDBMWLW-UHFFFAOYSA-N
MW437.32 g/mol
LogP3.63
Rot. Bonds6

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

N-(5-bromo-3-methoxypyrazin-2-yl)-5-(ethylamino)naphthalene-1-sulfonamide (PubChem CID 10670600) 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-(ethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methoxypyrazin-2-yl)-5-(ethylamino)naphthalene-1-sulfonamide
PubChem CID10670600
Molecular FormulaC17H17BrN4O3S
Molecular Weight437.32 g/mol
Exact Mass436.02
IUPAC NameN-(5-bromo-3-methoxypyrazin-2-yl)-5-(ethylamino)naphthalene-1-sulfonamide
SMILESCCNc1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OC)cccc12
InChIInChI=1S/C17H17BrN4O3S/c1-3-19-13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)22-16-17(25-2)21-15(18)10-20-16/h4-10,19H,3H2,1-2H3,(H,20,22)
InChIKeyYDPOXHCJDBMWLW-UHFFFAOYSA-N
XLogP3.63
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-3-methoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10475644
5-dimethylamino-N-(5-bromo-3-methoxy-2-pyrazinyl)-1-naphthalenesulphonamide
CID 10646616
5-(dimethylamino)-N-pyrazin-2-ylnaphthalene-1-sulfonamide
CID 10568280
5-dimethylamino-N-(5-bromo-3-methyl-2-pyrazinyl)-1-naphthalenesulphonamide
CID 10550094
N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10645066
5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
CID 10667000
N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10671298
N-(5-chloropyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10832511
N-(5-bromo-3-methoxypyrazin-2-yl)-5-[ethyl(methyl)amino]naphthalene-1-sulfonamide
CID 10623465
N-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide
CID 10740943
5-(dimethylamino)-N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
CID 10593411
N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10646522

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methoxypyrazin-2-yl)-5-(ethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-bromo-3-methoxypyrazin-2-yl)-5-(ethylamino)naphthalene-1-sulfonamide (CID 10670600) is N-(5-bromo-3-methoxypyrazin-2-yl)-5-(ethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methoxypyrazin-2-yl)-5-(ethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methoxypyrazin-2-yl)-5-(ethylamino)naphthalene-1-sulfonamide is CCNc1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OC)cccc12.
What is the InChIKey of N-(5-bromo-3-methoxypyrazin-2-yl)-5-(ethylamino)naphthalene-1-sulfonamide?
The InChIKey is YDPOXHCJDBMWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O3S/c1-3-19-13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)22-16-17(25-2)21-15(18)10-20-16/h4-10,19H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(5-bromo-3-methoxypyrazin-2-yl)-5-(ethylamino)naphthalene-1-sulfonamide?
N-(5-bromo-3-methoxypyrazin-2-yl)-5-(ethylamino)naphthalene-1-sulfonamide has a molecular weight of 437.32 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 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-(ethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10670600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).