4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide

C19H19ClN4O3S — CID 23075945

IUPAC4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
SMILESCN(CCOc1nccnc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H19ClN4O3S/c1-24(16-5-3-2-4-6-16)13-14-27-19-18(21-11-12-22-19)23-28(25,26)17-9-7-15(20)8-10-17/h2-12H,13-14H2,1H3,(H,21,23)
InChIKeyKFBGNDBHABUUQI-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.45
Rot. Bonds8

About 4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide

4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide (PubChem CID 23075945) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
PubChem CID23075945
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
SMILESCN(CCOc1nccnc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H19ClN4O3S/c1-24(16-5-3-2-4-6-16)13-14-27-19-18(21-11-12-22-19)23-28(25,26)17-9-7-15(20)8-10-17/h2-12H,13-14H2,1H3,(H,21,23)
InChIKeyKFBGNDBHABUUQI-UHFFFAOYSA-N
XLogP3.45
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
CID 23076244
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 23076281
4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075750
4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735421
2-[2-(N-methylanilino)ethoxy]pyridin-3-ol
CID 59089074
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
2-chloro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 22693790
4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075878
4-methyl-N-[3-(1-phenylethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23076143
N-(3-chloropyrazin-2-yl)-4-methoxybenzenesulfonamide
CID 102989975

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide (CID 23075945) is 4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide is CN(CCOc1nccnc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide?
The InChIKey is KFBGNDBHABUUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-24(16-5-3-2-4-6-16)13-14-27-19-18(21-11-12-22-19)23-28(25,26)17-9-7-15(20)8-10-17/h2-12H,13-14H2,1H3,(H,21,23).
What are the key properties of 4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide?
4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide has a molecular weight of 418.91 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23075945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).