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

C19H19N3O4S — CID 23075750

IUPAC4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccnc2OCCOc2ccccc2)cc1
InChIInChI=1S/C19H19N3O4S/c1-15-7-9-17(10-8-15)27(23,24)22-18-19(21-12-11-20-18)26-14-13-25-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,20,22)
InChIKeyKMUBQWQMHOIXAJ-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.04
Rot. Bonds8

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

4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 23075750) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID23075750
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccnc2OCCOc2ccccc2)cc1
InChIInChI=1S/C19H19N3O4S/c1-15-7-9-17(10-8-15)27(23,24)22-18-19(21-12-11-20-18)26-14-13-25-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,20,22)
InChIKeyKMUBQWQMHOIXAJ-UHFFFAOYSA-N
XLogP3.04
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
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-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075898
N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075876
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782625
4-fluoro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
CID 23076244
4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075945
4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076027
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492
4-tert-butyl-N-[5-(4-methylphenyl)-6-(2-pyridin-2-yloxyethoxy)pyrimidin-4-yl]benzenesulfonamide
CID 173316064
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 23076281

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide (CID 23075750) is 4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nccnc2OCCOc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is KMUBQWQMHOIXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-15-7-9-17(10-8-15)27(23,24)22-18-19(21-12-11-20-18)26-14-13-25-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,20,22).
What are the key properties of 4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide?
4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23075750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).