4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide

C19H19N3O3S — CID 23076143

IUPAC4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccnc2OC(C)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-8-10-17(11-9-14)26(23,24)22-18-19(21-13-12-20-18)25-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,20,22)
InChIKeyMLMNIAHTZGYDPG-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.73
Rot. Bonds6

About 4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide

4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 23076143) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID23076143
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccnc2OC(C)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-8-10-17(11-9-14)26(23,24)22-18-19(21-13-12-20-18)25-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,20,22)
InChIKeyMLMNIAHTZGYDPG-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075750
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075876
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492
4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075878
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 170923254
N-[6-(1-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 142638406
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform
CID 68857071
N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075898
4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075945
4-fluoro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
CID 23076244
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide (CID 23076143) is 4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nccnc2OC(C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is MLMNIAHTZGYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-14-8-10-17(11-9-14)26(23,24)22-18-19(21-13-12-20-18)25-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,20,22).
What are the key properties of 4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide?
4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 3.73, 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-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23076143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).