N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide

C20H20BrN3O3S — CID 23075822

IUPACN-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCCc1ccc(COc2nc(Br)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H20BrN3O3S/c1-3-15-6-8-16(9-7-15)13-27-20-19(22-12-18(21)23-20)24-28(25,26)17-10-4-14(2)5-11-17/h4-12H,3,13H2,1-2H3,(H,22,24)
InChIKeyOVTKOFKQFARWSP-UHFFFAOYSA-N
MW462.37 g/mol
LogP4.49
Rot. Bonds7

About N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide

N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 23075822) has the molecular formula C20H20BrN3O3S and a molecular weight of 462.37 g/mol. Its IUPAC name is N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
PubChem CID23075822
Molecular FormulaC20H20BrN3O3S
Molecular Weight462.37 g/mol
Exact Mass461.04
IUPAC NameN-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCCc1ccc(COc2nc(Br)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H20BrN3O3S/c1-3-15-6-8-16(9-7-15)13-27-20-19(22-12-18(21)23-20)24-28(25,26)17-10-4-14(2)5-11-17/h4-12H,3,13H2,1-2H3,(H,22,24)
InChIKeyOVTKOFKQFARWSP-UHFFFAOYSA-N
XLogP4.49
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075876
N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075798
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
4-ethyl-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076176
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-4-chloro-3-nitrobenzenesulfonamide
CID 23075716
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide
CID 23076211
N,N-diethyl-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
CID 23076205
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
N-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23076151
4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076292
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10791888
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide (CID 23075822) is N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide is CCc1ccc(COc2nc(Br)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is OVTKOFKQFARWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3S/c1-3-15-6-8-16(9-7-15)13-27-20-19(22-12-18(21)23-20)24-28(25,26)17-10-4-14(2)5-11-17/h4-12H,3,13H2,1-2H3,(H,22,24).
What are the key properties of N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 462.37 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23075822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).