N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide

C16H15BrN4O2S — CID 10645066

IUPACN-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3cnc(Br)cn3)cccc12
InChIInChI=1S/C16H15BrN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-18-15(17)9-19-16/h3-10H,1-2H3,(H,19,20)
InChIKeyDFVPVSOUYKGHAX-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.26
Rot. Bonds4

About N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide

N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 10645066) has the molecular formula C16H15BrN4O2S and a molecular weight of 407.29 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID10645066
Molecular FormulaC16H15BrN4O2S
Molecular Weight407.29 g/mol
Exact Mass406.01
IUPAC NameN-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3cnc(Br)cn3)cccc12
InChIInChI=1S/C16H15BrN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-18-15(17)9-19-16/h3-10H,1-2H3,(H,19,20)
InChIKeyDFVPVSOUYKGHAX-UHFFFAOYSA-N
XLogP3.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 10645066) is N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3cnc(Br)cn3)cccc12.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is DFVPVSOUYKGHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-18-15(17)9-19-16/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 407.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10645066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).