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

C24H20BrN3O3S — CID 23075798

IUPACN-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(Br)nc2OCc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C24H20BrN3O3S/c1-17-11-13-20(14-12-17)32(29,30)28-23-24(27-22(25)15-26-23)31-16-19-9-5-6-10-21(19)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,26,28)
InChIKeyVOUVNEPBCSMXIK-UHFFFAOYSA-N
MW510.41 g/mol
LogP5.59
Rot. Bonds7

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

N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 23075798) has the molecular formula C24H20BrN3O3S and a molecular weight of 510.41 g/mol. Its IUPAC name is N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
PubChem CID23075798
Molecular FormulaC24H20BrN3O3S
Molecular Weight510.41 g/mol
Exact Mass509.04
IUPAC NameN-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(Br)nc2OCc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C24H20BrN3O3S/c1-17-11-13-20(14-12-17)32(29,30)28-23-24(27-22(25)15-26-23)31-16-19-9-5-6-10-21(19)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,26,28)
InChIKeyVOUVNEPBCSMXIK-UHFFFAOYSA-N
XLogP5.59
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.41
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075822
4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076292
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
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-(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-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075750
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10791888
N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075876
N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 129241457
N-(3-butoxy-5-phenylpyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 58584629

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide (CID 23075798) is N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(Br)nc2OCc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is VOUVNEPBCSMXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O3S/c1-17-11-13-20(14-12-17)32(29,30)28-23-24(27-22(25)15-26-23)31-16-19-9-5-6-10-21(19)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,26,28).
What are the key properties of N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide?
N-[5-bromo-3-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 510.41 g/mol, XLogP of 5.59, 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-[(2-phenylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23075798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).