4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide

C19H19N3O3S — CID 23075772

IUPAC4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-3-7-16(8-4-14)13-25-19-18(20-11-12-21-19)22-26(23,24)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,20,22)
InChIKeyQLIYUJJPZIBUAT-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.47
Rot. Bonds6

About 4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide

4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide (PubChem CID 23075772) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
PubChem CID23075772
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-3-7-16(8-4-14)13-25-19-18(20-11-12-21-19)22-26(23,24)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,20,22)
InChIKeyQLIYUJJPZIBUAT-UHFFFAOYSA-N
XLogP3.47
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.47
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
4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075750
N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075898
4-ethyl-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076176
N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075822
4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076143
4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075878
N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075847
N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 2728379
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492
4-bromo-N-[3-(pyridin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076089
N-[5-(4-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23076151

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide (CID 23075772) is 4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide is Cc1ccc(COc2nccnc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide?
The InChIKey is QLIYUJJPZIBUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-14-3-7-16(8-4-14)13-25-19-18(20-11-12-21-19)22-26(23,24)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,20,22).
What are the key properties of 4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide?
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23075772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).