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

C17H17BrN4O2S — CID 10550094

IUPACN-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H17BrN4O2S/c1-11-17(19-10-16(18)20-11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,19,21)
InChIKeyWONYSUAAXSMWMV-UHFFFAOYSA-N
MW421.32 g/mol
LogP3.57
Rot. Bonds4

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

N-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 10550094) has the molecular formula C17H17BrN4O2S and a molecular weight of 421.32 g/mol. Its IUPAC name is N-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID10550094
Molecular FormulaC17H17BrN4O2S
Molecular Weight421.32 g/mol
Exact Mass420.03
IUPAC NameN-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H17BrN4O2S/c1-11-17(19-10-16(18)20-11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,19,21)
InChIKeyWONYSUAAXSMWMV-UHFFFAOYSA-N
XLogP3.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10645066
5-(dimethylamino)-N-(5-bromo-3-methyl-2-pyridyl)-1-naphthalenesulphonamide
CID 10645779
5-(dimethylamino)-N-(3-methoxy-5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
CID 10667000
5-ethylamino-N-(5-bromo-3-methoxy-2-pyrazinyl)-1-naphthalenesulphonamide
CID 10670600
N-(5-bromo-3-ethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10671298
N-(2-bromopyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10740138
N-(6-bromo-3-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10787482
N-(5-chloropyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10832511
2-[4-(5-amino-6-bromopyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
CID 90315098

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 10550094) is N-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is Cc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of N-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is WONYSUAAXSMWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O2S/c1-11-17(19-10-16(18)20-11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 421.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10550094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).