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

C16H15BrN4O3S — CID 10740943

IUPACN-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide
SMILESCNc1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OC)cccc12
InChIInChI=1S/C16H15BrN4O3S/c1-18-12-7-3-6-11-10(12)5-4-8-13(11)25(22,23)21-15-16(24-2)20-14(17)9-19-15/h3-9,18H,1-2H3,(H,19,21)
InChIKeyXDULZYJHZGTMOM-UHFFFAOYSA-N
MW423.29 g/mol
LogP3.24
Rot. Bonds5

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

N-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide (PubChem CID 10740943) has the molecular formula C16H15BrN4O3S and a molecular weight of 423.29 g/mol. Its IUPAC name is N-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide
PubChem CID10740943
Molecular FormulaC16H15BrN4O3S
Molecular Weight423.29 g/mol
Exact Mass422.00
IUPAC NameN-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide
SMILESCNc1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OC)cccc12
InChIInChI=1S/C16H15BrN4O3S/c1-18-12-7-3-6-11-10(12)5-4-8-13(11)25(22,23)21-15-16(24-2)20-14(17)9-19-15/h3-9,18H,1-2H3,(H,19,21)
InChIKeyXDULZYJHZGTMOM-UHFFFAOYSA-N
XLogP3.24
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
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-(methylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide (CID 10740943) is N-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide is CNc1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OC)cccc12.
What is the InChIKey of N-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide?
The InChIKey is XDULZYJHZGTMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O3S/c1-18-12-7-3-6-11-10(12)5-4-8-13(11)25(22,23)21-15-16(24-2)20-14(17)9-19-15/h3-9,18H,1-2H3,(H,19,21).
What are the key properties of N-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide?
N-(5-bromo-3-methoxypyrazin-2-yl)-5-(methylamino)naphthalene-1-sulfonamide has a molecular weight of 423.29 g/mol, XLogP of 3.24, 5 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-(methylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10740943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).