N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide

C18H13BrN4O3S — CID 23076211

IUPACN-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ncc(Br)nc2OCc2ccccc2)c1
InChIInChI=1S/C18H13BrN4O3S/c19-16-11-21-17(18(22-16)26-12-13-5-2-1-3-6-13)23-27(24,25)15-8-4-7-14(9-15)10-20/h1-9,11H,12H2,(H,21,23)
InChIKeyNMIYIPMUFOZXRR-UHFFFAOYSA-N
MW445.30 g/mol
LogP3.49
Rot. Bonds6

About N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide

N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide (PubChem CID 23076211) has the molecular formula C18H13BrN4O3S and a molecular weight of 445.30 g/mol. Its IUPAC name is N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide
PubChem CID23076211
Molecular FormulaC18H13BrN4O3S
Molecular Weight445.30 g/mol
Exact Mass443.99
IUPAC NameN-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ncc(Br)nc2OCc2ccccc2)c1
InChIInChI=1S/C18H13BrN4O3S/c19-16-11-21-17(18(22-16)26-12-13-5-2-1-3-6-13)23-27(24,25)15-8-4-7-14(9-15)10-20/h1-9,11H,12H2,(H,21,23)
InChIKeyNMIYIPMUFOZXRR-UHFFFAOYSA-N
XLogP3.49
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide
CID 3790516
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide
CID 115910806
3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665417
3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
CID 66905539
N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075798
3-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 28534651
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63010767
N-[5-[(5-bromo-3-methoxypyrazin-2-yl)sulfamoyl]naphthalen-1-yl]-N-phenylmethoxyformamide
CID 57221955

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide (CID 23076211) is N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ncc(Br)nc2OCc2ccccc2)c1.
What is the InChIKey of N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide?
The InChIKey is NMIYIPMUFOZXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O3S/c19-16-11-21-17(18(22-16)26-12-13-5-2-1-3-6-13)23-27(24,25)15-8-4-7-14(9-15)10-20/h1-9,11H,12H2,(H,21,23).
What are the key properties of N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide?
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide has a molecular weight of 445.30 g/mol, XLogP of 3.49, 6 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)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 23076211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).