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

C23H21BrN4O3S — CID 10791888

IUPACN-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OCc3ccccc3)cccc12
InChIInChI=1S/C23H21BrN4O3S/c1-28(2)19-12-6-11-18-17(19)10-7-13-20(18)32(29,30)27-22-23(26-21(24)14-25-22)31-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyDUCFPOXWJKCCBN-UHFFFAOYSA-N
MW513.42 g/mol
LogP4.84
Rot. Bonds7

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

N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 10791888) has the molecular formula C23H21BrN4O3S and a molecular weight of 513.42 g/mol. Its IUPAC name is N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID10791888
Molecular FormulaC23H21BrN4O3S
Molecular Weight513.42 g/mol
Exact Mass512.05
IUPAC NameN-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OCc3ccccc3)cccc12
InChIInChI=1S/C23H21BrN4O3S/c1-28(2)19-12-6-11-18-17(19)10-7-13-20(18)32(29,30)27-22-23(26-21(24)14-25-22)31-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyDUCFPOXWJKCCBN-UHFFFAOYSA-N
XLogP4.84
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(5-bromo-3-methoxypyrazin-2-yl)sulfamoyl]naphthalen-1-yl]-N-phenylmethoxyformamide
CID 57221955
N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10645779
N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 10239030
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide
CID 23076211
N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 59168194
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-4-chloro-3-nitrobenzenesulfonamide
CID 23075716
N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075822
N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10833400
N-(6-chloro-3-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 11792960
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075798
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 10791888) is N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OCc3ccccc3)cccc12.
What is the InChIKey of N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is DUCFPOXWJKCCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O3S/c1-28(2)19-12-6-11-18-17(19)10-7-13-20(18)32(29,30)27-22-23(26-21(24)14-25-22)31-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 513.42 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10791888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).