2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide

C19H19N3O4S — CID 91326938

IUPAC2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide
SMILESCOc1nc(C)cnc1COc1ccc(-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C19H19N3O4S/c1-13-11-21-17(19(22-13)25-2)12-26-15-9-7-14(8-10-15)16-5-3-4-6-18(16)27(20,23)24/h3-11H,12H2,1-2H3,(H2,20,23,24)
InChIKeyPOLMPOIXDBRHIW-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide

2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide (PubChem CID 91326938) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide
PubChem CID91326938
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide
SMILESCOc1nc(C)cnc1COc1ccc(-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C19H19N3O4S/c1-13-11-21-17(19(22-13)25-2)12-26-15-9-7-14(8-10-15)16-5-3-4-6-18(16)27(20,23)24/h3-11H,12H2,1-2H3,(H2,20,23,24)
InChIKeyPOLMPOIXDBRHIW-UHFFFAOYSA-N
XLogP2.69
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207146
2-[4-[1-(4-methoxyphenyl)-3-(methylperoxymethyl)-7-oxopyrazolo[4,5-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
CID 22086916
2-[4-[1-(3-methoxy-5-methylpyrazin-2-yl)imidazol-2-yl]phenyl]pyridine-3-sulfonamide
CID 141246718
2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 67622817
2-[4-(4-methoxyphenyl)-2-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 173207529
2-[4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide
CID 18753806
2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 152613697
2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-phenylphenoxy]propanoic acid
CID 139709095
2-[4-[3-isocyano-1-(4-methoxyphenyl)-7-oxopyrazolo[4,5-d]pyrimidin-6-yl]phenyl]benzenesulfonamide
CID 22086914
2-[5-but-3-en-2-yl-2-(4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide
CID 173207543
2-(4-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572912
bis(carbamothioic S-acid);methane;2-[3-(4-methoxyphenyl)-5-propylfuran-2-yl]benzenesulfonamide;hydrate
CID 173207187

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide?
The IUPAC name of 2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide (CID 91326938) is 2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide?
The canonical SMILES for 2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide is COc1nc(C)cnc1COc1ccc(-c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide?
The InChIKey is POLMPOIXDBRHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-11-21-17(19(22-13)25-2)12-26-15-9-7-14(8-10-15)16-5-3-4-6-18(16)27(20,23)24/h3-11H,12H2,1-2H3,(H2,20,23,24).
What are the key properties of 2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide?
2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 91326938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).