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

C18H19BrN4O2S — CID 10646522

IUPACN-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCCc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H19BrN4O2S/c1-4-14-18(20-11-17(19)21-14)22-26(24,25)16-10-6-7-12-13(16)8-5-9-15(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyAXNXKWXEPIXRQC-UHFFFAOYSA-N
MW435.35 g/mol
LogP3.82
Rot. Bonds5

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

N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 10646522) has the molecular formula C18H19BrN4O2S and a molecular weight of 435.35 g/mol. Its IUPAC name is N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID10646522
Molecular FormulaC18H19BrN4O2S
Molecular Weight435.35 g/mol
Exact Mass434.04
IUPAC NameN-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCCc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H19BrN4O2S/c1-4-14-18(20-11-17(19)21-14)22-26(24,25)16-10-6-7-12-13(16)8-5-9-15(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22)
InChIKeyAXNXKWXEPIXRQC-UHFFFAOYSA-N
XLogP3.82
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 10646522) is N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is CCc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is AXNXKWXEPIXRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2S/c1-4-14-18(20-11-17(19)21-14)22-26(24,25)16-10-6-7-12-13(16)8-5-9-15(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22).
What are the key properties of N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 435.35 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-ethylpyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10646522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).